N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylphenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-(m-tolyl)-5-pyrrol-1-yl-pyrazole-4-carboxamide Formula: C27H29N5O MolecularWeight: 439.55206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCC4=CC=CC=C4C3)N5C=CC=C5

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)NCCCN3CCC4=CC=CC=C4C3)N5C=CC=C5

InChI

InChI=1S/C27H29N5O/c1-21-8-6-11-24(18-21)32-27(31-15-4-5-16-31)25(19-29-32)26(33)28-13-7-14-30-17-12-22-9-2-3-10-23(22)20-30/h2-6,8-11,15-16,18-19H,7,12-14,17,20H2,1H3,(H,28,33)