[3-azanyl-4-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone

Systemtic Name: [3-azanyl-4-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone Openeye Name: [3-amino-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-yl-methanone CAS Name: [3-amino-4-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]phenyl]-(1-piperazinyl)methanone IUPAC Name: [3-amino-4-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]phenyl]-piperazin-1-ylmethanone Traditional Name: [3-amino-4-(4-veratroyl-1,4-diazepan-1-yl)phenyl]-piperazino-methanone Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)N)OC

InChI

InChI=1S/C25H33N5O4/c1-33-22-7-5-19(17-23(22)34-2)25(32)29-11-3-10-28(14-15-29)21-6-4-18(16-20(21)26)24(31)30-12-8-27-9-13-30/h4-7,16-17,27H,3,8-15,26H2,1-2H3