[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone

Systemtic Name: [4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Openeye Name: [4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-[1-(1-piperidyl)-4-isoquinolyl]methanone CAS Name: [4-(5-chloro-2-methylphenyl)-1-piperazinyl]-[1-(1-piperidinyl)-4-isoquinolinyl]methanone IUPAC Name: [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-piperidin-1-ylisoquinolin-4-yl)methanone Traditional Name: [4-(5-chloro-2-methyl-phenyl)piperazino]-(1-piperidino-4-isoquinolyl)methanone Formula: C26H29ClN4O MolecularWeight: 448.98766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C26H29ClN4O/c1-19-9-10-20(27)17-24(19)29-13-15-31(16-14-29)26(32)23-18-28-25(30-11-5-2-6-12-30)22-8-4-3-7-21(22)23/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3