(3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[3-(3-pyridyl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-N-[3-(3-pyridinyl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(6-ethoxy-4-methylquinazolin-2-yl)-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)-N-[3-(3-pyridyl)propyl]nipecotamide Formula: C25H31N5O2 MolecularWeight: 433.54594

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(C3)C(=O)NCCCC4=CN=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](C3)C(=O)NCCCC4=CN=CC=C4

InChI

InChI=1S/C25H31N5O2/c1-3-32-21-10-11-23-22(15-21)18(2)28-25(29-23)30-14-6-9-20(17-30)24(31)27-13-5-8-19-7-4-12-26-16-19/h4,7,10-12,15-16,20H,3,5-6,8-9,13-14,17H2,1-2H3,(H,27,31)/t20-/m0/s1