3-ethyl-1-(phenylmethyl)-4-piperidin-4-yl-isoquinoline

Systemtic Name: 3-ethyl-1-(phenylmethyl)-4-piperidin-4-yl-isoquinoline Openeye Name: 1-benzyl-3-ethyl-4-(4-piperidyl)isoquinoline CAS Name: 3-ethyl-1-(phenylmethyl)-4-(4-piperidinyl)isoquinoline IUPAC Name: 1-benzyl-3-ethyl-4-piperidin-4-ylisoquinoline Traditional Name: 1-benzyl-3-ethyl-4-(4-piperidyl)isoquinoline Formula: C23H26N2 MolecularWeight: 330.46594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C4CCNCC4

Isomeric SMILES

CCC1=C(C2=CC=CC=C2C(=N1)CC3=CC=CC=C3)C4CCNCC4

InChI

InChI=1S/C23H26N2/c1-2-21-23(18-12-14-24-15-13-18)20-11-7-6-10-19(20)22(25-21)16-17-8-4-3-5-9-17/h3-11,18,24H,2,12-16H2,1H3