4-[1-(4-azanyl-2,3-dimethyl-phenyl)-3-phenyl-isoquinolin-4-yl]-2,3-dimethyl-aniline

Systemtic Name: 4-[1-(4-azanyl-2,3-dimethyl-phenyl)-3-phenyl-isoquinolin-4-yl]-2,3-dimethyl-aniline Openeye Name: 4-[1-(4-amino-2,3-dimethyl-phenyl)-3-phenyl-4-isoquinolyl]-2,3-dimethyl-aniline CAS Name: 4-[1-(4-amino-2,3-dimethylphenyl)-3-phenyl-4-isoquinolinyl]-2,3-dimethylaniline IUPAC Name: 4-[1-(4-amino-2,3-dimethylphenyl)-3-phenylisoquinolin-4-yl]-2,3-dimethylaniline Traditional Name: [4-[1-(4-amino-2,3-dimethyl-phenyl)-3-phenyl-4-isoquinolyl]-2,3-dimethyl-phenyl]amine Formula: C31H29N3 MolecularWeight: 443.58206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)N)C2=C(N=C(C3=CC=CC=C32)C4=C(C(=C(C=C4)N)C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1C)N)C2=C(N=C(C3=CC=CC=C32)C4=C(C(=C(C=C4)N)C)C)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3/c1-18-20(3)27(32)16-14-23(18)29-25-12-8-9-13-26(25)31(24-15-17-28(33)21(4)19(24)2)34-30(29)22-10-6-5-7-11-22/h5-17H,32-33H2,1-4H3