N-[4-(azepan-1-yl)phenyl]-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[2-(3,4-dimethoxyphenyl)ethylamino]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(homoveratrylamino)acetamide Formula: C24H33N3O3 MolecularWeight: 411.53712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)OC

InChI

InChI=1S/C24H33N3O3/c1-29-22-12-7-19(17-23(22)30-2)13-14-25-18-24(28)26-20-8-10-21(11-9-20)27-15-5-3-4-6-16-27/h7-12,17,25H,3-6,13-16,18H2,1-2H3,(H,26,28)