3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-pyrrol-1-yl-isoquinolin-1-one

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-pyrrol-1-yl-isoquinolin-1-one Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-pyrrol-1-yl-isoquinolin-1-one CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-(1-pyrrolyl)-1-isoquinolinone IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-6-pyrrol-1-ylisoquinolin-1-one Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-6-pyrrol-1-yl-isocarbostyril Formula: C22H29N3O2 MolecularWeight: 367.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CC=C3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)N3C=CC=C3)CC(C)C)CN

InChI

InChI=1S/C22H29N3O2/c1-4-5-12-27-21-19-13-17(24-10-6-7-11-24)8-9-18(19)22(26)25(15-16(2)3)20(21)14-23/h6-11,13,16H,4-5,12,14-15,23H2,1-3H3