N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazino]ethyl]-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C27H33ClN6O MolecularWeight: 493.04352

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)N5C=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=C(C=CC=N4)N5C=CC=C5

InChI

InChI=1S/C27H33ClN6O/c28-23-5-3-6-24(21-23)32-19-17-31(18-20-32)16-11-30-27(35)22-8-14-34(15-9-22)26-25(7-4-10-29-26)33-12-1-2-13-33/h1-7,10,12-13,21-22H,8-9,11,14-20H2,(H,30,35)