8-(hydroxymethyl)-4-[(2-methylphenyl)amino]-N-(3-phenylpropyl)quinoline-3-carboxamide

Systemtic Name: 8-(hydroxymethyl)-4-[(2-methylphenyl)amino]-N-(3-phenylpropyl)quinoline-3-carboxamide Openeye Name: 8-(hydroxymethyl)-4-(2-methylanilino)-N-(3-phenylpropyl)quinoline-3-carboxamide CAS Name: 8-(hydroxymethyl)-4-(2-methylanilino)-N-(3-phenylpropyl)-3-quinolinecarboxamide IUPAC Name: 8-(hydroxymethyl)-4-(2-methylanilino)-N-(3-phenylpropyl)quinoline-3-carboxamide Traditional Name: 8-methylol-4-(o-toluidino)-N-(3-phenylpropyl)quinoline-3-carboxamide Formula: C27H27N3O2 MolecularWeight: 425.52218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCCCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC=CC=C1NC2=C3C=CC=C(C3=NC=C2C(=O)NCCCC4=CC=CC=C4)CO

InChI

InChI=1S/C27H27N3O2/c1-19-9-5-6-15-24(19)30-26-22-14-7-13-21(18-31)25(22)29-17-23(26)27(32)28-16-8-12-20-10-3-2-4-11-20/h2-7,9-11,13-15,17,31H,8,12,16,18H2,1H3,(H,28,32)(H,29,30)