3-azanyl-3-methyl-N-[(3R)-2-oxidanylidene-1-[[4-[2-[(phenylmethyl)carbamoylamino]phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide

Systemtic Name: 3-azanyl-3-methyl-N-[(3R)-2-oxidanylidene-1-[[4-[2-[(phenylmethyl)carbamoylamino]phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide Openeye Name: 3-amino-N-[(3R)-1-[[4-[2-(benzylcarbamoylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butanamide CAS Name: 3-amino-3-methyl-N-[(3R)-2-oxo-1-[[4-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]phenyl]methyl]-4,5-dihydro-3H-1-benzazepin-3-yl]butanamide IUPAC Name: 3-amino-N-[(3R)-1-[[4-[2-(benzylcarbamoylamino)phenyl]phenyl]methyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methylbutanamide Traditional Name: 3-amino-N-[(3R)-1-[4-[2-(benzylcarbamoylamino)phenyl]benzyl]-2-keto-4,5-dihydro-3H-1-benzazepin-3-yl]-3-methyl-butyramide Formula: C36H39N5O3 MolecularWeight: 589.72656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)NCC5=CC=CC=C5)N

Isomeric SMILES

CC(C)(CC(=O)N[C@@H]1CCC2=CC=CC=C2N(C1=O)CC3=CC=C(C=C3)C4=CC=CC=C4NC(=O)NCC5=CC=CC=C5)N

InChI

InChI=1S/C36H39N5O3/c1-36(2,37)22-33(42)39-31-21-20-28-12-6-9-15-32(28)41(34(31)43)24-26-16-18-27(19-17-26)29-13-7-8-14-30(29)40-35(44)38-23-25-10-4-3-5-11-25/h3-19,31H,20-24,37H2,1-2H3,(H,39,42)(H2,38,40,44)/t31-/m1/s1