N'-[1-(cyclopropylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide

Systemtic Name: N'-[1-(cyclopropylmethyl)-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[1-(cyclopropylmethyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[1-(cyclopropylmethyl)-2-keto-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C30H36N4O3 MolecularWeight: 500.63184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4CC4

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C30H36N4O3/c1-4-10-22(27(31)35)24(17-19(2)3)29(36)33-28-30(37)34(18-20-15-16-20)25-14-9-8-13-23(25)26(32-28)21-11-6-5-7-12-21/h4-9,11-14,19-20,22,24,28H,1,10,15-18H2,2-3H3,(H2,31,35)(H,33,36)