N-(5-acetamido-2-methoxy-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(5-acetamido-2-methoxyphenyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(5-acetamido-2-methoxy-phenyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)OC)NC(=O)CN2CCCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H29N5O3/c1-18(30)26-21-8-9-23(32-2)22(14-21)27-24(31)17-29-11-3-10-28(12-13-29)16-20-6-4-19(15-25)5-7-20/h4-9,14H,3,10-13,16-17H2,1-2H3,(H,26,30)(H,27,31)