N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide

Systemtic Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-piperidin-1-yl-isoquinoline-4-carboxamide Openeye Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-(1-piperidyl)isoquinoline-4-carboxamide CAS Name: N-[3-(4-cyclohexyl-1-piperazinyl)propyl]-1-(1-piperidinyl)-4-isoquinolinecarboxamide IUPAC Name: N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-1-piperidin-1-ylisoquinoline-4-carboxamide Traditional Name: N-[3-(4-cyclohexylpiperazino)propyl]-1-piperidino-isoquinoline-4-carboxamide Formula: C28H41N5O MolecularWeight: 463.65804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)CCCNC(=O)C3=CN=C(C4=CC=CC=C43)N5CCCCC5

InChI

InChI=1S/C28H41N5O/c34-28(29-14-9-15-31-18-20-32(21-19-31)23-10-3-1-4-11-23)26-22-30-27(33-16-7-2-8-17-33)25-13-6-5-12-24(25)26/h5-6,12-13,22-23H,1-4,7-11,14-21H2,(H,29,34)