N-[2-methyl-4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-yl-quinazolin-6-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-methyl-4-oxidanylidene-3-(phenylmethyl)-7-piperidin-1-yl-quinazolin-6-yl]pyridine-4-carboxamide Openeye Name: N-[3-benzyl-2-methyl-4-oxo-7-(1-piperidyl)quinazolin-6-yl]pyridine-4-carboxamide CAS Name: N-[2-methyl-4-oxo-3-(phenylmethyl)-7-(1-piperidinyl)-6-quinazolinyl]-4-pyridinecarboxamide IUPAC Name: N-(3-benzyl-2-methyl-4-oxo-7-piperidin-1-ylquinazolin-6-yl)pyridine-4-carboxamide Traditional Name: N-(3-benzyl-4-keto-2-methyl-7-piperidino-quinazolin-6-yl)isonicotinamide Formula: C27H27N5O2 MolecularWeight: 453.53558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C4=CC=NC=C4)N5CCCCC5

Isomeric SMILES

CC1=NC2=CC(=C(C=C2C(=O)N1CC3=CC=CC=C3)NC(=O)C4=CC=NC=C4)N5CCCCC5

InChI

InChI=1S/C27H27N5O2/c1-19-29-23-17-25(31-14-6-3-7-15-31)24(30-26(33)21-10-12-28-13-11-21)16-22(23)27(34)32(19)18-20-8-4-2-5-9-20/h2,4-5,8-13,16-17H,3,6-7,14-15,18H2,1H3,(H,30,33)