3-(cyclobutylmethyl)-N'-[5-[[3-(4-methylphenyl)phenyl]methyl]-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enyl-butanediamide

Systemtic Name: 3-(cyclobutylmethyl)-N'-[5-[[3-(4-methylphenyl)phenyl]methyl]-6-oxidanylidene-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-(cyclobutylmethyl)-N'-[6-oxo-5-[[3-(p-tolyl)phenyl]methyl]-7H-benzo[d][1]benzazepin-7-yl]butanediamide CAS Name: 3-(cyclobutylmethyl)-N'-[5-[[3-(4-methylphenyl)phenyl]methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enylbutanediamide IUPAC Name: 3-(cyclobutylmethyl)-N'-[5-[[3-(4-methylphenyl)phenyl]methyl]-6-oxo-7H-benzo[d][1]benzazepin-7-yl]-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-(cyclobutylmethyl)-N'-[6-keto-5-[3-(p-tolyl)benzyl]-7H-benzo[d][1]benzazepin-7-yl]succinamide Formula: C40H41N3O3 MolecularWeight: 611.77184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=CC=C2)CN3C4=CC=CC=C4C5=CC=CC=C5C(C3=O)NC(=O)C(CC6CCC6)C(CC=C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=CC=C2)CN3C4=CC=CC=C4C5=CC=CC=C5C(C3=O)NC(=O)C(CC6CCC6)C(CC=C)C(=O)N

InChI

InChI=1S/C40H41N3O3/c1-3-10-34(38(41)44)35(24-27-11-8-12-27)39(45)42-37-33-17-5-4-15-31(33)32-16-6-7-18-36(32)43(40(37)46)25-28-13-9-14-30(23-28)29-21-19-26(2)20-22-29/h3-7,9,13-23,27,34-35,37H,1,8,10-12,24-25H2,2H3,(H2,41,44)(H,42,45)