3-(2,4-dichlorophenyl)-N-[(3S)-2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide

Systemtic Name: 3-(2,4-dichlorophenyl)-N-[(3S)-2-oxidanylidene-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Openeye Name: 3-(2,4-dichlorophenyl)-N-[(3S)-1-isopropyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide CAS Name: 3-(2,4-dichlorophenyl)-N-[(3S)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide IUPAC Name: 3-(2,4-dichlorophenyl)-N-[(3S)-2-oxo-5-phenyl-1-propan-2-yl-3H-1,4-benzodiazepin-3-yl]propanamide Traditional Name: 3-(2,4-dichlorophenyl)-N-[(3S)-1-isopropyl-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]propionamide Formula: C27H25Cl2N3O2 MolecularWeight: 494.4123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2C(=NC(C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)CCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H25Cl2N3O2/c1-17(2)32-23-11-7-6-10-21(23)25(19-8-4-3-5-9-19)31-26(27(32)34)30-24(33)15-13-18-12-14-20(28)16-22(18)29/h3-12,14,16-17,26H,13,15H2,1-2H3,(H,30,33)/t26-/m0/s1