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

Systemtic Name: N'-[5-(4-fluorophenyl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(4-fluorophenyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[5-(4-fluorophenyl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C27H31FN4O3 MolecularWeight: 478.558443

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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=C(C=C3)F)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31FN4O3/c1-5-8-19(24(29)33)21(15-16(2)3)26(34)31-25-27(35)32(4)22-10-7-6-9-20(22)23(30-25)17-11-13-18(28)14-12-17/h5-7,9-14,16,19,21,25H,1,8,15H2,2-4H3,(H2,29,33)(H,31,34)