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

Systemtic Name: N'-[5-(azepan-1-yl)-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-N'-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-butanediamide CAS Name: N'-[5-(1-azepanyl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-[5-(azepan-1-yl)-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-N'-[5-(azepan-1-yl)-2-keto-1-methyl-3H-1,4-benzodiazepin-3-yl]-3-isobutyl-succinamide Formula: C27H39N5O3 MolecularWeight: 481.63026

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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)N3CCCCCC3)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCCCCC3)C

InChI

InChI=1S/C27H39N5O3/c1-5-12-19(23(28)33)21(17-18(2)3)26(34)30-24-27(35)31(4)22-14-9-8-13-20(22)25(29-24)32-15-10-6-7-11-16-32/h5,8-9,13-14,18-19,21,24H,1,6-7,10-12,15-17H2,2-4H3,(H2,28,33)(H,30,34)