4-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-oxidanyl-benzenecarboximidamide

Systemtic Name: 4-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)carbonyl-piperazin-1-yl]-3-oxidanylidene-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-oxidanyl-benzenecarboximidamide Openeye Name: 4-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-3-oxo-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-hydroxy-benzamidine CAS Name: 4-[5-[3-[2-(3,4-dichlorophenyl)-4-[(3,5-dimethylphenyl)-oxomethyl]-1-piperazinyl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-hydroxybenzenecarboximidamide IUPAC Name: 4-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazin-1-yl]-3-oxopropyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-hydroxybenzenecarboximidamide Traditional Name: 4-[5-[3-[2-(3,4-dichlorophenyl)-4-(3,5-dimethylbenzoyl)piperazino]-3-keto-propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N'-hydroxy-benzamidine Formula: C34H38Cl2N6O3 MolecularWeight: 649.60992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN4CC5CC4CN5C6=CC=C(C=C6)C(=NO)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCN(C(C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)CCN4CC5CC4CN5C6=CC=C(C=C6)/C(=N/O)/N)C

InChI

InChI=1S/C34H38Cl2N6O3/c1-21-13-22(2)15-25(14-21)34(44)40-11-12-41(31(20-40)24-5-8-29(35)30(36)16-24)32(43)9-10-39-18-28-17-27(39)19-42(28)26-6-3-23(4-7-26)33(37)38-45/h3-8,13-16,27-28,31,45H,9-12,17-20H2,1-2H3,(H2,37,38)