(3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one

Systemtic Name: (3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Openeye Name: (3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one CAS Name: (3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methyl-3-indolyl)-3,4-dihydroisoquinolin-1-one IUPAC Name: (3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methylindol-3-yl)-3,4-dihydroisoquinolin-1-one Traditional Name: (3S,4R)-4-(aminomethyl)-2-ethyl-3-(1-methylindol-3-yl)-3,4-dihydroisocarbostyril Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C2=CC=CC=C2C1=O)CN)C3=CN(C4=CC=CC=C43)C

Isomeric SMILES

CCN1[C@@H]([C@H](C2=CC=CC=C2C1=O)CN)C3=CN(C4=CC=CC=C43)C

InChI

InChI=1S/C21H23N3O/c1-3-24-20(18-13-23(2)19-11-7-6-9-15(18)19)17(12-22)14-8-4-5-10-16(14)21(24)25/h4-11,13,17,20H,3,12,22H2,1-2H3/t17-,20-/m0/s1