8-(1-phenylheptyl)-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one

Systemtic Name: 8-(1-phenylheptyl)-2-[(4-pyrazol-1-ylphenyl)amino]pyrido[2,3-d]pyrimidin-7-one Openeye Name: 8-(1-phenylheptyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one CAS Name: 8-(1-phenylheptyl)-2-[4-(1-pyrazolyl)anilino]-7-pyrido[2,3-d]pyrimidinone IUPAC Name: 8-(1-phenylheptyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Traditional Name: 8-(1-phenylheptyl)-2-(4-pyrazol-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one Formula: C29H30N6O MolecularWeight: 478.5881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC=CC=C1)N2C(=O)C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)N5C=CC=N5

Isomeric SMILES

CCCCCCC(C1=CC=CC=C1)N2C(=O)C=CC3=CN=C(N=C32)NC4=CC=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C29H30N6O/c1-2-3-4-8-12-26(22-10-6-5-7-11-22)35-27(36)18-13-23-21-30-29(33-28(23)35)32-24-14-16-25(17-15-24)34-20-9-19-31-34/h5-7,9-11,13-21,26H,2-4,8,12H2,1H3,(H,30,32,33)