N-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide

Systemtic Name: N-(5-cyclohexyl-2-oxidanylidene-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide Openeye Name: N-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide CAS Name: N-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide IUPAC Name: N-(5-cyclohexyl-2-oxo-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide Traditional Name: N-(5-cyclohexyl-2-keto-1-propyl-3H-1,4-benzodiazepin-3-yl)-4-(dimethylamino)benzamide Formula: C27H34N4O2 MolecularWeight: 446.58446

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC=C(C=C3)N(C)C)C4CCCCC4

Isomeric SMILES

CCCN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3=CC=C(C=C3)N(C)C)C4CCCCC4

InChI

InChI=1S/C27H34N4O2/c1-4-18-31-23-13-9-8-12-22(23)24(19-10-6-5-7-11-19)28-25(27(31)33)29-26(32)20-14-16-21(17-15-20)30(2)3/h8-9,12-17,19,25H,4-7,10-11,18H2,1-3H3,(H,29,32)