N-[6-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide

Systemtic Name: N-[6-[4-(3,4-dimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxy-ethanamide Openeye Name: N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-phenoxy-acetamide CAS Name: N-[6-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide IUPAC Name: N-[6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-2-phenoxyacetamide Traditional Name: 2-phenoxy-N-[6-(4-veratroyl-1,4-diazepan-1-yl)-3-pyridyl]acetamide Formula: C27H30N4O5 MolecularWeight: 490.5509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCCN(CC2)C3=NC=C(C=C3)NC(=O)COC4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N4O5/c1-34-23-11-9-20(17-24(23)35-2)27(33)31-14-6-13-30(15-16-31)25-12-10-21(18-28-25)29-26(32)19-36-22-7-4-3-5-8-22/h3-5,7-12,17-18H,6,13-16,19H2,1-2H3,(H,29,32)