7-chloranyl-5-phenyl-3-propyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one

Systemtic Name: 7-chloranyl-5-phenyl-3-propyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Openeye Name: 7-chloro-5-phenyl-3-propyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one CAS Name: 7-chloro-5-phenyl-3-propyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 7-chloro-5-phenyl-3-propyl-1-prop-2-ynyl-3H-1,4-benzodiazepin-2-one Traditional Name: 7-chloro-5-phenyl-1-propargyl-3-propyl-3H-1,4-benzodiazepin-2-one Formula: C21H19ClN2O MolecularWeight: 350.84136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC#C

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC#C

InChI

InChI=1S/C21H19ClN2O/c1-3-8-18-21(25)24(13-4-2)19-12-11-16(22)14-17(19)20(23-18)15-9-6-5-7-10-15/h2,5-7,9-12,14,18H,3,8,13H2,1H3