(2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-phenethyl-5-piperazin-1-yl-1H-pyrido[4,3-d]pyrimidin-4-one

Systemtic Name: (2E)-2-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-3-phenethyl-5-piperazin-1-yl-1H-pyrido[4,3-d]pyrimidin-4-one Openeye Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-5-piperazin-1-yl-1H-pyrido[4,3-d]pyrimidin-4-one CAS Name: (2E)-2-(6-oxo-1-cyclohexa-2,4-dienylidene)-3-phenethyl-5-(1-piperazinyl)-1H-pyrido[4,3-d]pyrimidin-4-one IUPAC Name: (2E)-2-(6-oxocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-5-piperazin-1-yl-1H-pyrido[4,3-d]pyrimidin-4-one Traditional Name: (2E)-2-(6-ketocyclohexa-2,4-dien-1-ylidene)-3-phenethyl-5-piperazino-1H-pyrido[4,3-d]pyrimidin-4-one Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC=CC3=C2C(=O)N(C(=C4C=CC=CC4=O)N3)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC=CC3=C2C(=O)N(/C(=C/4\C=CC=CC4=O)/N3)CCC5=CC=CC=C5

InChI

InChI=1S/C25H25N5O2/c31-21-9-5-4-8-19(21)23-28-20-10-12-27-24(29-16-13-26-14-17-29)22(20)25(32)30(23)15-11-18-6-2-1-3-7-18/h1-10,12,26,28H,11,13-17H2/b23-19+