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

Systemtic Name: N'-(1-methyl-5-morpholin-4-yl-2-oxidanylidene-3H-1,4-benzodiazepin-3-yl)-3-(2-methylpropyl)-2-prop-2-enyl-butanediamide Openeye Name: 2-allyl-3-isobutyl-N'-(1-methyl-5-morpholino-2-oxo-3H-1,4-benzodiazepin-3-yl)butanediamide CAS Name: N'-[1-methyl-5-(4-morpholinyl)-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-(2-methylpropyl)-2-prop-2-enylbutanediamide IUPAC Name: N'-(1-methyl-5-morpholin-4-yl-2-oxo-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-morpholino-3H-1,4-benzodiazepin-3-yl)succinamide Formula: C25H35N5O4 MolecularWeight: 469.5765

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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)N3CCOCC3)C

Isomeric SMILES

CC(C)CC(C(CC=C)C(=O)N)C(=O)NC1C(=O)N(C2=CC=CC=C2C(=N1)N3CCOCC3)C

InChI

InChI=1S/C25H35N5O4/c1-5-8-17(21(26)31)19(15-16(2)3)24(32)28-22-25(33)29(4)20-10-7-6-9-18(20)23(27-22)30-11-13-34-14-12-30/h5-7,9-10,16-17,19,22H,1,8,11-15H2,2-4H3,(H2,26,31)(H,28,32)