N-[(2S)-butan-2-yl]-4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide Openeye Name: 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1S)-1-methylpropyl]piperidine-1-carboxamide CAS Name: N-[(2S)-butan-2-yl]-4-[5-[[(2-chloroanilino)-oxomethyl]amino]-1-pyrazolyl]-1-piperidinecarboxamide IUPAC Name: N-[(2S)-butan-2-yl]-4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide Traditional Name: 4-[5-[(2-chlorophenyl)carbamoylamino]pyrazol-1-yl]-N-[(1S)-1-methylpropyl]piperidine-1-carboxamide Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

Isomeric SMILES

CC[C@H](C)NC(=O)N1CCC(CC1)N2C(=CC=N2)NC(=O)NC3=CC=CC=C3Cl

InChI

InChI=1S/C20H27ClN6O2/c1-3-14(2)23-20(29)26-12-9-15(10-13-26)27-18(8-11-22-27)25-19(28)24-17-7-5-4-6-16(17)21/h4-8,11,14-15H,3,9-10,12-13H2,1-2H3,(H,23,29)(H2,24,25,28)/t14-/m0/s1