N-(3-azanyl-2-oxidanylidene-6H-1-benzazepin-1-yl)-N-methyl-2-[3-methyl-4-(2-oxidanylpropylamino)butanoyl]-6-phenyl-benzamide

Systemtic Name: N-(3-azanyl-2-oxidanylidene-6H-1-benzazepin-1-yl)-N-methyl-2-[3-methyl-4-(2-oxidanylpropylamino)butanoyl]-6-phenyl-benzamide Openeye Name: N-(3-amino-2-oxo-6H-1-benzazepin-1-yl)-2-[4-(2-hydroxypropylamino)-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide CAS Name: N-(3-amino-2-oxo-6H-1-benzazepin-1-yl)-2-[4-(2-hydroxypropylamino)-3-methyl-1-oxobutyl]-N-methyl-6-phenylbenzamide IUPAC Name: N-(3-amino-2-oxo-6H-1-benzazepin-1-yl)-2-[4-(2-hydroxypropylamino)-3-methylbutanoyl]-N-methyl-6-phenylbenzamide Traditional Name: N-(3-amino-2-keto-6H-1-benzazepin-1-yl)-2-[4-(2-hydroxypropylamino)-3-methyl-butanoyl]-N-methyl-6-phenyl-benzamide Formula: C32H36N4O4 MolecularWeight: 540.65264

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=CC=CC(=C1C(=O)N(C)N2C3=CC=CCC3=CC=C(C2=O)N)C4=CC=CC=C4)CNCC(C)O

Isomeric SMILES

CC(CC(=O)C1=CC=CC(=C1C(=O)N(C)N2C3=CC=CCC3=CC=C(C2=O)N)C4=CC=CC=C4)CNCC(C)O

InChI

InChI=1S/C32H36N4O4/c1-21(19-34-20-22(2)37)18-29(38)26-14-9-13-25(23-10-5-4-6-11-23)30(26)32(40)35(3)36-28-15-8-7-12-24(28)16-17-27(33)31(36)39/h4-11,13-17,21-22,34,37H,12,18-20,33H2,1-3H3