7-chloranyl-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 7-chloranyl-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-(benzylamino)-7-chloro-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydroisoquinolin-1-one CAS Name: 7-chloro-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-6-[(phenylmethyl)amino]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-(benzylamino)-7-chloro-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-(benzylamino)-7-chloro-3-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydroisocarbostyril Formula: C22H23ClN4O MolecularWeight: 394.89722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2C(=O)N1CC3=C(NC=N3)C)Cl)NCC4=CC=CC=C4

Isomeric SMILES

CC1CC2=CC(=C(C=C2C(=O)N1CC3=C(NC=N3)C)Cl)NCC4=CC=CC=C4

InChI

InChI=1S/C22H23ClN4O/c1-14-8-17-9-20(24-11-16-6-4-3-5-7-16)19(23)10-18(17)22(28)27(14)12-21-15(2)25-13-26-21/h3-7,9-10,13-14,24H,8,11-12H2,1-2H3,(H,25,26)