1-(3-azanyl-4-chloranyl-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-propan-2-ylpropan-2-amine

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-propan-2-ylpropan-2-amine Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-isopropylpropan-2-amine CAS Name: 1-(3-amino-4-chlorophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-propan-2-yl-2-propanamine IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-propan-2-ylpropan-2-amine Traditional Name: 1-(3-amino-4-chloro-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; diisopropylamine Formula: C23H32ClN3O MolecularWeight: 401.97268

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C(NC1=O)C3=CC(=C(C=C3)Cl)N.CC(C)NC(C)C

Isomeric SMILES

CCC1C2=CC=CC=C2C(NC1=O)C3=CC(=C(C=C3)Cl)N.CC(C)NC(C)C

InChI

InChI=1S/C17H17ClN2O.C6H15N/c1-2-11-12-5-3-4-6-13(12)16(20-17(11)21)10-7-8-14(18)15(19)9-10;1-5(2)7-6(3)4/h3-9,11,16H,2,19H2,1H3,(H,20,21);5-7H,1-4H3