4-[3-[[2-(dimethylamino)-3-phenyl-propanoyl]amino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide

Systemtic Name: 4-[3-[[2-(dimethylamino)-3-phenyl-propanoyl]amino]-1-methyl-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 4-[3-[[2-(dimethylamino)-3-phenyl-propanoyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 4-[3-[[2-(dimethylamino)-1-oxo-3-phenylpropyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 4-[3-[[2-(dimethylamino)-3-phenylpropanoyl]amino]-1-methyl-2-oxo-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 4-[3-[[2-(dimethylamino)-3-phenyl-propanoyl]amino]-2-keto-1-methyl-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)N(C)C)C4=CC=C(C=C4)C(=O)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CC3=CC=CC=C3)N(C)C)C4=CC=C(C=C4)C(=O)N

InChI

InChI=1S/C28H29N5O3/c1-32(2)23(17-18-9-5-4-6-10-18)27(35)31-26-28(36)33(3)22-12-8-7-11-21(22)24(30-26)19-13-15-20(16-14-19)25(29)34/h4-16,23,26H,17H2,1-3H3,(H2,29,34)(H,31,35)