6-[(4-phenylphenyl)-piperazin-1-yl-methyl]isoquinoline

Systemtic Name: 6-[(4-phenylphenyl)-piperazin-1-yl-methyl]isoquinoline Openeye Name: 6-[(4-phenylphenyl)-piperazin-1-yl-methyl]isoquinoline CAS Name: 6-[(4-phenylphenyl)-(1-piperazinyl)methyl]isoquinoline IUPAC Name: 6-[(4-phenylphenyl)-piperazin-1-ylmethyl]isoquinoline Traditional Name: 6-[(4-phenylphenyl)-piperazino-methyl]isoquinoline Formula: C26H25N3 MolecularWeight: 379.4968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5

Isomeric SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=C(C=C4)C=NC=C5

InChI

InChI=1S/C26H25N3/c1-2-4-20(5-3-1)21-6-8-22(9-7-21)26(29-16-14-27-15-17-29)24-10-11-25-19-28-13-12-23(25)18-24/h1-13,18-19,26-27H,14-17H2