N-[1-(butylcarbamoyl)cyclopentyl]-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide

Systemtic Name: N-[1-(butylcarbamoyl)cyclopentyl]-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Openeye Name: N-[1-(butylcarbamoyl)cyclopentyl]-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide CAS Name: N-[1-[butylamino(oxo)methyl]cyclopentyl]-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide IUPAC Name: N-[1-(butylcarbamoyl)cyclopentyl]-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Traditional Name: N-[1-(butylcarbamoyl)cyclopentyl]-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-1-ium-1-carboxamide Formula: C27H33N4O3+ MolecularWeight: 461.57592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

Isomeric SMILES

CCCCNC(=O)C1(CCCC1)NC(=O)[N+]2(C(=O)CN=C(C3=CC=CC=C32)C4=CC=CC=C4)C

InChI

InChI=1S/C27H32N4O3/c1-3-4-18-28-25(33)27(16-10-11-17-27)30-26(34)31(2)22-15-9-8-14-21(22)24(29-19-23(31)32)20-12-6-5-7-13-20/h5-9,12-15H,3-4,10-11,16-19H2,1-2H3,(H-,28,30,33,34)/p+1