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

Systemtic Name: N'-(1-methyl-2-oxidanylidene-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-[1-methyl-2-oxo-5-(1-piperidyl)-3H-1,4-benzodiazepin-3-yl]butanediamide CAS Name: N'-[1-methyl-2-oxo-5-(1-piperidinyl)-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-methyl-2-oxo-5-piperidin-1-yl-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enylbutanediamide Traditional Name: 2-allyl-3-isobutyl-N'-(2-keto-1-methyl-5-piperidino-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C26H37N5O3 MolecularWeight: 467.60368

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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)N3CCCCC3)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCCCC3)C

InChI

InChI=1S/C26H37N5O3/c1-5-11-18(22(27)32)20(16-17(2)3)25(33)29-23-26(34)30(4)21-13-8-7-12-19(21)24(28-23)31-14-9-6-10-15-31/h5,7-8,12-13,17-18,20,23H,1,6,9-11,14-16H2,2-4H3,(H2,27,32)(H,29,33)