3-(1-methylpyrrol-2-yl)-2-(phenylmethyl)-4-(piperazin-1-ylmethyl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: 3-(1-methylpyrrol-2-yl)-2-(phenylmethyl)-4-(piperazin-1-ylmethyl)-3,4-dihydroisoquinolin-1-one Openeye Name: 2-benzyl-3-(1-methylpyrrol-2-yl)-4-(piperazin-1-ylmethyl)-3,4-dihydroisoquinolin-1-one CAS Name: 3-(1-methyl-2-pyrrolyl)-2-(phenylmethyl)-4-(1-piperazinylmethyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-benzyl-3-(1-methylpyrrol-2-yl)-4-(piperazin-1-ylmethyl)-3,4-dihydroisoquinolin-1-one Traditional Name: 2-benzyl-3-(1-methylpyrrol-2-yl)-4-(piperazinomethyl)-3,4-dihydroisocarbostyril Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCNCC5

Isomeric SMILES

CN1C=CC=C1C2C(C3=CC=CC=C3C(=O)N2CC4=CC=CC=C4)CN5CCNCC5

InChI

InChI=1S/C26H30N4O/c1-28-15-7-12-24(28)25-23(19-29-16-13-27-14-17-29)21-10-5-6-11-22(21)26(31)30(25)18-20-8-3-2-4-9-20/h2-12,15,23,25,27H,13-14,16-19H2,1H3