N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butan-2-yl-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(7-chloro-2-oxo-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-butan-2-yl-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)acetamide Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-sec-butyl-3H-1,4-benzodiazepin-1-yl)-N-piperonyl-acetamide Formula: C29H28ClN3O4 MolecularWeight: 518.00332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC(C)C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H28ClN3O4/c1-3-18(2)27-29(35)33(16-26(34)31-15-19-9-12-24-25(13-19)37-17-36-24)23-11-10-21(30)14-22(23)28(32-27)20-7-5-4-6-8-20/h4-14,18,27H,3,15-17H2,1-2H3,(H,31,34)