N-[1-[2-[[5-(aminomethyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide

Systemtic Name: N-[1-[2-[[5-(aminomethyl)-2-methyl-phenyl]amino]-2-oxidanylidene-ethyl]-2-oxidanylidene-azepan-3-yl]-4-phenyl-benzamide Openeye Name: N-[1-[2-[5-(aminomethyl)-2-methyl-anilino]-2-oxo-ethyl]-2-oxo-azepan-3-yl]-4-phenyl-benzamide CAS Name: N-[1-[2-[5-(aminomethyl)-2-methylanilino]-2-oxoethyl]-2-oxo-3-azepanyl]-4-phenylbenzamide IUPAC Name: N-[1-[2-[5-(aminomethyl)-2-methylanilino]-2-oxoethyl]-2-oxoazepan-3-yl]-4-phenylbenzamide Traditional Name: N-[1-[2-[5-(aminomethyl)-2-methyl-anilino]-2-keto-ethyl]-2-keto-azepan-3-yl]-4-phenyl-benzamide Formula: C29H32N4O3 MolecularWeight: 484.58938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN)NC(=O)CN2CCCCC(C2=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)CN)NC(=O)CN2CCCCC(C2=O)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H32N4O3/c1-20-10-11-21(18-30)17-26(20)31-27(34)19-33-16-6-5-9-25(29(33)36)32-28(35)24-14-12-23(13-15-24)22-7-3-2-4-8-22/h2-4,7-8,10-15,17,25H,5-6,9,16,18-19,30H2,1H3,(H,31,34)(H,32,35)