(1R)-N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-2-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]cyclohexane-1-carboxamide

Systemtic Name: (1R)-N-[(1S)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]-2-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]cyclohexane-1-carboxamide Openeye Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenyl-ethyl]-2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]cyclohexanecarboxamide CAS Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-[oxo(1H-pyrrol-2-yl)methyl]-1-piperazinyl]-1-cyclohexanecarboxamide IUPAC Name: (1R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]cyclohexane-1-carboxamide Traditional Name: (1R)-N-[(1S)-2-amino-2-keto-1-phenyl-ethyl]-2-[4-(1H-pyrrole-2-carbonyl)piperazino]cyclohexanecarboxamide Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(C2=CC=CC=C2)C(=O)N)N3CCN(CC3)C(=O)C4=CC=CN4

Isomeric SMILES

C1CCC([C@@H](C1)C(=O)N[C@@H](C2=CC=CC=C2)C(=O)N)N3CCN(CC3)C(=O)C4=CC=CN4

InChI

InChI=1S/C24H31N5O3/c25-22(30)21(17-7-2-1-3-8-17)27-23(31)18-9-4-5-11-20(18)28-13-15-29(16-14-28)24(32)19-10-6-12-26-19/h1-3,6-8,10,12,18,20-21,26H,4-5,9,11,13-16H2,(H2,25,30)(H,27,31)/t18-,20?,21+/m1/s1