3-(2-azanyl-5-propan-2-yl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one

Systemtic Name: 3-(2-azanyl-5-propan-2-yl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one Openeye Name: 3-(2-amino-5-isopropyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one CAS Name: 3-(2-amino-5-propan-2-ylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one IUPAC Name: 3-(2-amino-5-propan-2-ylphenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one Traditional Name: 3-(2-amino-5-isopropyl-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one Formula: C23H31N3O MolecularWeight: 365.51174

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(C)C)N

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)C(C)C)N

InChI

InChI=1S/C23H31N3O/c1-5-25(6-2)13-14-26-22(18-9-7-8-10-19(18)23(26)27)20-15-17(16(3)4)11-12-21(20)24/h7-12,15-16,22H,5-6,13-14,24H2,1-4H3