1-[4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[(isoquinolin-1-ylamino)methyl]-4-phenyl-piperidin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[(1-isoquinolylamino)methyl]-4-phenyl-1-piperidyl]-3-phenyl-propan-1-one CAS Name: 1-[4-[(1-isoquinolinylamino)methyl]-4-phenyl-1-piperidinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[(isoquinolin-1-ylamino)methyl]-4-phenylpiperidin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[(1-isoquinolylamino)methyl]-4-phenyl-piperidino]-3-phenyl-propan-1-one Formula: C30H31N3O MolecularWeight: 449.58664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1(CNC2=NC=CC3=CC=CC=C32)C4=CC=CC=C4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O/c34-28(16-15-24-9-3-1-4-10-24)33-21-18-30(19-22-33,26-12-5-2-6-13-26)23-32-29-27-14-8-7-11-25(27)17-20-31-29/h1-14,17,20H,15-16,18-19,21-23H2,(H,31,32)