(3S)-7-chloranyl-5-phenyl-3-(phenylmethyl)-1-propan-2-yl-3-prop-2-enyl-1,4-benzodiazepin-2-one

Systemtic Name: (3S)-7-chloranyl-5-phenyl-3-(phenylmethyl)-1-propan-2-yl-3-prop-2-enyl-1,4-benzodiazepin-2-one Openeye Name: (3S)-3-allyl-3-benzyl-7-chloro-1-isopropyl-5-phenyl-1,4-benzodiazepin-2-one CAS Name: (3S)-7-chloro-5-phenyl-3-(phenylmethyl)-1-propan-2-yl-3-prop-2-enyl-1,4-benzodiazepin-2-one IUPAC Name: (3S)-3-benzyl-7-chloro-5-phenyl-1-propan-2-yl-3-prop-2-enyl-1,4-benzodiazepin-2-one Traditional Name: (3S)-3-allyl-3-benzyl-7-chloro-1-isopropyl-5-phenyl-1,4-benzodiazepin-2-one Formula: C28H27ClN2O MolecularWeight: 442.97978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)(CC=C)CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)Cl)C(=N[C@@](C1=O)(CC=C)CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27ClN2O/c1-4-17-28(19-21-11-7-5-8-12-21)27(32)31(20(2)3)25-16-15-23(29)18-24(25)26(30-28)22-13-9-6-10-14-22/h4-16,18,20H,1,17,19H2,2-3H3/t28-/m0/s1