N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,3-dimethyl-butanamide

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-3,3-dimethyl-butanamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethyl-butanamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-3,3-dimethylbutanamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-3,3-dimethylbutanamide Traditional Name: 3,3-dimethyl-N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]butyramide Formula: C31H43N5O5 MolecularWeight: 565.70362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)(C)CC(=O)NC1=C(C=CC(=C1)C(=O)N2CCNCC2)N3CCCN(CC3)C(=O)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C31H43N5O5/c1-31(2,3)21-28(37)33-24-19-22(29(38)36-15-11-32-12-16-36)7-9-25(24)34-13-6-14-35(18-17-34)30(39)23-8-10-26(40-4)27(20-23)41-5/h7-10,19-20,32H,6,11-18,21H2,1-5H3,(H,33,37)