N-[1-(4-methoxyphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]ethanamide

Systemtic Name: N-[1-(4-methoxyphenyl)-3-oxidanylidene-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]ethanamide Openeye Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-1-(4-methoxyphenyl)-3-oxo-propyl]acetamide CAS Name: N-[1-(4-methoxyphenyl)-3-oxo-3-[4-(phenylmethyl)-1,4-diazepan-1-yl]propyl]acetamide IUPAC Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide Traditional Name: N-[3-(4-benzyl-1,4-diazepan-1-yl)-3-keto-1-(4-methoxyphenyl)propyl]acetamide Formula: C24H31N3O3 MolecularWeight: 409.52124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCCN(CC1)CC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C24H31N3O3/c1-19(28)25-23(21-9-11-22(30-2)12-10-21)17-24(29)27-14-6-13-26(15-16-27)18-20-7-4-3-5-8-20/h3-5,7-12,23H,6,13-18H2,1-2H3,(H,25,28)