N-[1-(phenylmethyl)pyrrolidin-3-yl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[1-(phenylmethyl)pyrrolidin-3-yl]-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Openeye Name: N-(1-benzylpyrrolidin-3-yl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide CAS Name: N-[1-(phenylmethyl)-3-pyrrolidinyl]-6-(3-phenyl-1-piperazinyl)-3-pyridinecarboxamide IUPAC Name: N-(1-benzylpyrrolidin-3-yl)-6-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide Traditional Name: N-(1-benzylpyrrolidin-3-yl)-6-(3-phenylpiperazino)nicotinamide Formula: C27H31N5O MolecularWeight: 441.56794

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC1NC(=O)C2=CN=C(C=C2)N3CCNC(C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C27H31N5O/c33-27(30-24-13-15-31(19-24)18-21-7-3-1-4-8-21)23-11-12-26(29-17-23)32-16-14-28-25(20-32)22-9-5-2-6-10-22/h1-12,17,24-25,28H,13-16,18-20H2,(H,30,33)