4-[4-azanyl-2-[methyl-(phenylmethyl)carbamoyl]phenyl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-azanyl-2-[methyl-(phenylmethyl)carbamoyl]phenyl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 4-[4-amino-2-[benzyl(methyl)carbamoyl]phenyl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 4-[4-amino-2-[[methyl-(phenylmethyl)amino]-oxomethyl]phenyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 4-[4-amino-2-[benzyl(methyl)carbamoyl]phenyl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[4-amino-2-[benzyl(methyl)carbamoyl]phenyl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C26H35N5O2 MolecularWeight: 449.5884

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N)N3CCN(CC3)C(=O)NC4CCCCC4

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=C(C=CC(=C2)N)N3CCN(CC3)C(=O)NC4CCCCC4

InChI

InChI=1S/C26H35N5O2/c1-29(19-20-8-4-2-5-9-20)25(32)23-18-21(27)12-13-24(23)30-14-16-31(17-15-30)26(33)28-22-10-6-3-7-11-22/h2,4-5,8-9,12-13,18,22H,3,6-7,10-11,14-17,19,27H2,1H3,(H,28,33)