2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxidanylidene-propyl]-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxidanylidene-propyl]-3-(phenylmethyl)pyrido[2,3-d]pyrimidin-4-one Openeye Name: 3-benzyl-2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxo-propyl]pyrido[2,3-d]pyrimidin-4-one CAS Name: 2-[3-(4-cyclohexyl-1-piperazinyl)-3-oxopropyl]-3-(phenylmethyl)-4-pyrido[2,3-d]pyrimidinone IUPAC Name: 3-benzyl-2-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]pyrido[2,3-d]pyrimidin-4-one Traditional Name: 3-benzyl-2-[3-(4-cyclohexylpiperazino)-3-keto-propyl]pyrido[2,3-d]pyrimidin-4-one Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)CCC3=NC4=C(C=CC=N4)C(=O)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)CCC3=NC4=C(C=CC=N4)C(=O)N3CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2/c33-25(31-18-16-30(17-19-31)22-10-5-2-6-11-22)14-13-24-29-26-23(12-7-15-28-26)27(34)32(24)20-21-8-3-1-4-9-21/h1,3-4,7-9,12,15,22H,2,5-6,10-11,13-14,16-20H2