3-(4-aminophenyl)-N-[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-(4-aminophenyl)-N-[(3R)-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-(4-aminophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-(4-aminophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-(4-aminophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-(4-aminophenyl)-N-[(3R)-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C25H24N4O2 MolecularWeight: 412.48366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=CC=C(C=C3)N)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=N[C@H](C1=O)NC(=O)CCC3=CC=C(C=C3)N)C4=CC=CC=C4

InChI

InChI=1S/C25H24N4O2/c1-29-21-10-6-5-9-20(21)23(18-7-3-2-4-8-18)28-24(25(29)31)27-22(30)16-13-17-11-14-19(26)15-12-17/h2-12,14-15,24H,13,16,26H2,1H3,(H,27,30)/t24-/m1/s1