3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxamide hydrochloride

Systemtic Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-6-carboxamide hydrochloride Openeye Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-isoquinoline-6-carboxamide hydrochloride CAS Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinecarboxamide hydrochloride IUPAC Name: 3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinoline-6-carboxamide hydrochloride Traditional Name: 3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-isoquinoline-6-carboxamide hydrochloride Formula: C19H28ClN3O3 MolecularWeight: 381.89692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)N)CC(C)C)CN.Cl

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)C(=O)N)CC(C)C)CN.Cl

InChI

InChI=1S/C19H27N3O3.ClH/c1-4-5-8-25-17-15-9-13(18(21)23)6-7-14(15)19(24)22(11-12(2)3)16(17)10-20;/h6-7,9,12H,4-5,8,10-11,20H2,1-3H3,(H2,21,23);1H