4-[4-[6-(2-dimethylaminoethyloxy)-5-methoxy-indol-1-yl]carbonylphenyl]-3-methyl-benzenecarbonitrile

Systemtic Name: 4-[4-[6-(2-dimethylaminoethyloxy)-5-methoxy-indol-1-yl]carbonylphenyl]-3-methyl-benzenecarbonitrile Openeye Name: 4-[4-[6-(2-dimethylaminoethyloxy)-5-methoxy-indole-1-carbonyl]phenyl]-3-methyl-benzonitrile CAS Name: 4-[4-[[6-(2-dimethylaminoethyloxy)-5-methoxy-1-indolyl]-oxomethyl]phenyl]-3-methylbenzonitrile IUPAC Name: 4-[4-[6-(2-dimethylaminoethyloxy)-5-methoxyindole-1-carbonyl]phenyl]-3-methylbenzonitrile Traditional Name: 4-[4-[6-(2-dimethylaminoethyloxy)-5-methoxy-indole-1-carbonyl]phenyl]-3-methyl-benzonitrile Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#N)C2=CC=C(C=C2)C(=O)N3C=CC4=CC(=C(C=C43)OCCN(C)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C#N)C2=CC=C(C=C2)C(=O)N3C=CC4=CC(=C(C=C43)OCCN(C)C)OC

InChI

InChI=1S/C28H27N3O3/c1-19-15-20(18-29)5-10-24(19)21-6-8-22(9-7-21)28(32)31-12-11-23-16-26(33-4)27(17-25(23)31)34-14-13-30(2)3/h5-12,15-17H,13-14H2,1-4H3