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

Systemtic Name: N-[2-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]cyclobutanecarboxamide Openeye Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclobutanecarboxamide CAS Name: N-[2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[2-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]cyclobutanecarboxamide Traditional Name: N-[5-(piperazine-1-carbonyl)-2-(4-veratroyl-1,4-diazepan-1-yl)phenyl]cyclobutanecarboxamide Formula: C30H39N5O5 MolecularWeight: 549.66116

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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)NC(=O)C5CCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCNCC4)NC(=O)C5CCC5)OC

InChI

InChI=1S/C30H39N5O5/c1-39-26-10-8-23(20-27(26)40-2)30(38)34-14-4-13-33(17-18-34)25-9-7-22(29(37)35-15-11-31-12-16-35)19-24(25)32-28(36)21-5-3-6-21/h7-10,19-21,31H,3-6,11-18H2,1-2H3,(H,32,36)