butan-1-amine; N-(4-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride

Systemtic Name: butan-1-amine; N-(4-ethoxyphenyl)-4-oxidanylidene-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride Openeye Name: butan-1-amine; N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride CAS Name: 1-butanamine; N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride IUPAC Name: butan-1-amine; N-(4-ethoxyphenyl)-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride Traditional Name: butylamine; 4-keto-N-p-phenetyl-1,5,6,7-tetrahydroindole-3-carboxamide; hydrochloride Formula: C21H30ClN3O3 MolecularWeight: 407.9342

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CCOC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3.Cl

Isomeric SMILES

CCCCN.CCOC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3.Cl

InChI

InChI=1S/C17H18N2O3.C4H11N.ClH/c1-2-22-12-8-6-11(7-9-12)19-17(21)13-10-18-14-4-3-5-15(20)16(13)14;1-2-3-4-5;/h6-10,18H,2-5H2,1H3,(H,19,21);2-5H2,1H3;1H