2-azanyl-3-(dimethylamino)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide

Systemtic Name: 2-azanyl-3-(dimethylamino)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Openeye Name: 2-amino-3-(dimethylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide CAS Name: 2-amino-3-(dimethylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide IUPAC Name: 2-amino-3-(dimethylamino)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)propanamide Traditional Name: 2-amino-3-(dimethylamino)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)propionamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CN(C)C)N)C3=CC=CC=C3

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CN(C)C)N)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2/c1-25(2)13-16(22)20(27)24-19-21(28)26(3)17-12-8-7-11-15(17)18(23-19)14-9-5-4-6-10-14/h4-12,16,19H,13,22H2,1-3H3,(H,24,27)