3-azanyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one Openeye Name: 3-amino-2-[4-[4-(2-quinolyl)piperazin-1-yl]butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one CAS Name: 3-amino-2-[4-[4-(2-quinolinyl)-1-piperazinyl]butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one IUPAC Name: 3-amino-2-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one Traditional Name: 3-amino-2-[4-[4-(2-quinolyl)piperazino]butyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-one Formula: C26H34N6O MolecularWeight: 446.58776

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)N=C(N(C2=O)N)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC2=C(CC1)N=C(N(C2=O)N)CCCCN3CCN(CC3)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C26H34N6O/c27-32-25(29-23-11-3-1-2-9-21(23)26(32)33)12-6-7-15-30-16-18-31(19-17-30)24-14-13-20-8-4-5-10-22(20)28-24/h4-5,8,10,13-14H,1-3,6-7,9,11-12,15-19,27H2