N-[3-(aminomethyl)phenyl]-2-[3-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanylidene-azepan-1-yl]ethanamide

Systemtic Name: N-[3-(aminomethyl)phenyl]-2-[3-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanylidene-azepan-1-yl]ethanamide Openeye Name: N-[3-(aminomethyl)phenyl]-2-[3-[[2-(1-naphthyloxy)acetyl]amino]-2-oxo-azepan-1-yl]acetamide CAS Name: N-[3-(aminomethyl)phenyl]-2-[3-[[2-(1-naphthalenyloxy)-1-oxoethyl]amino]-2-oxo-1-azepanyl]acetamide IUPAC Name: N-[3-(aminomethyl)phenyl]-2-[3-[(2-naphthalen-1-yloxyacetyl)amino]-2-oxoazepan-1-yl]acetamide Traditional Name: N-[3-(aminomethyl)phenyl]-2-[2-keto-3-[[2-(1-naphthoxy)acetyl]amino]azepan-1-yl]acetamide Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C(C1)NC(=O)COC2=CC=CC3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)CN

Isomeric SMILES

C1CCN(C(=O)C(C1)NC(=O)COC2=CC=CC3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)CN

InChI

InChI=1S/C27H30N4O4/c28-16-19-7-5-10-21(15-19)29-25(32)17-31-14-4-3-12-23(27(31)34)30-26(33)18-35-24-13-6-9-20-8-1-2-11-22(20)24/h1-2,5-11,13,15,23H,3-4,12,14,16-18,28H2,(H,29,32)(H,30,33)