5-chloranyl-3-phenyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide

Systemtic Name: 5-chloranyl-3-phenyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide Openeye Name: 5-chloro-3-phenyl-N-[(3S)-1-pyrimidin-2-yl-3-piperidyl]-1H-indole-2-carboxamide CAS Name: 5-chloro-3-phenyl-N-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-1H-indole-2-carboxamide IUPAC Name: 5-chloro-3-phenyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1H-indole-2-carboxamide Traditional Name: 5-chloro-3-phenyl-N-[(3S)-1-(2-pyrimidyl)-3-piperidyl]-1H-indole-2-carboxamide Formula: C24H22ClN5O MolecularWeight: 431.91738

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C24H22ClN5O/c25-17-9-10-20-19(14-17)21(16-6-2-1-3-7-16)22(29-20)23(31)28-18-8-4-13-30(15-18)24-26-11-5-12-27-24/h1-3,5-7,9-12,14,18,29H,4,8,13,15H2,(H,28,31)/t18-/m0/s1