2-(dimethylaminomethyl)-4-[3-(4-phenylphenyl)propanoyl]-2,3-dihydroquinoxaline-1-carbaldehyde; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(dimethylaminomethyl)-4-[3-(4-phenylphenyl)propanoyl]-2,3-dihydroquinoxaline-1-carbaldehyde; 4-methylbenzenesulfonic acid Openeye Name: 2-(dimethylaminomethyl)-4-[3-(4-phenylphenyl)propanoyl]-2,3-dihydroquinoxaline-1-carbaldehyde; 4-methylbenzenesulfonic acid CAS Name: 2-(dimethylaminomethyl)-4-[1-oxo-3-(4-phenylphenyl)propyl]-2,3-dihydroquinoxaline-1-carboxaldehyde; 4-methylbenzenesulfonic acid IUPAC Name: 2-(dimethylaminomethyl)-4-[3-(4-phenylphenyl)propanoyl]-2,3-dihydroquinoxaline-1-carbaldehyde; 4-methylbenzenesulfonic acid Traditional Name: 2-(dimethylaminomethyl)-4-[3-(4-phenylphenyl)propanoyl]-2,3-dihydroquinoxaline-1-carbaldehyde; tosylic acid Formula: C34H37N3O5S MolecularWeight: 599.73968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CN(C2=CC=CC=C2N1C=O)C(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC1CN(C2=CC=CC=C2N1C=O)C(=O)CCC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2.C7H8O3S/c1-28(2)18-24-19-29(25-10-6-7-11-26(25)30(24)20-31)27(32)17-14-21-12-15-23(16-13-21)22-8-4-3-5-9-22;1-6-2-4-7(5-3-6)11(8,9)10/h3-13,15-16,20,24H,14,17-19H2,1-2H3;2-5H,1H3,(H,8,9,10)