2-[4-[[3-(3-azanylbutanoylamino)-5-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide

Systemtic Name: 2-[4-[[3-(3-azanylbutanoylamino)-5-methyl-2-oxidanylidene-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide Openeye Name: 2-[4-[[3-(3-aminobutanoylamino)-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide CAS Name: 2-[4-[[3-[(3-amino-1-oxobutyl)amino]-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethylbenzamide IUPAC Name: 2-[4-[[3-(3-aminobutanoylamino)-5-methyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethylbenzamide Traditional Name: 2-[4-[[3-(3-aminobutanoylamino)-2-keto-5-methyl-4,5-dihydro-3H-1-benzazepin-1-yl]methyl]phenyl]-N-ethyl-benzamide Formula: C31H36N4O3 MolecularWeight: 512.64254

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=CC=CC=C4C(CC(C3=O)NC(=O)CC(C)N)C

Isomeric SMILES

CCNC(=O)C1=CC=CC=C1C2=CC=C(C=C2)CN3C4=CC=CC=C4C(CC(C3=O)NC(=O)CC(C)N)C

InChI

InChI=1S/C31H36N4O3/c1-4-33-30(37)26-11-6-5-10-25(26)23-15-13-22(14-16-23)19-35-28-12-8-7-9-24(28)20(2)17-27(31(35)38)34-29(36)18-21(3)32/h5-16,20-21,27H,4,17-19,32H2,1-3H3,(H,33,37)(H,34,36)