(3S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3S)-2-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3S)-2-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3S)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3S)-2-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C27H30N4O2 MolecularWeight: 442.5527

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4CC5=CC=CC=C5CC4C(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CN4CC5=CC=CC=C5C[C@H]4C(=O)N

InChI

InChI=1S/C27H30N4O2/c28-27(33)25-16-21-7-1-2-8-22(21)18-31(25)19-26(32)30-14-12-29(13-15-30)17-23-10-5-9-20-6-3-4-11-24(20)23/h1-11,25H,12-19H2,(H2,28,33)/t25-/m0/s1