3-(3-cyclohexyl-6-methanoyl-2-piperazin-1-yl-quinolin-4-yl)-1-methyl-indole-5-carbonitrile

Systemtic Name: 3-(3-cyclohexyl-6-methanoyl-2-piperazin-1-yl-quinolin-4-yl)-1-methyl-indole-5-carbonitrile Openeye Name: 3-(3-cyclohexyl-6-formyl-2-piperazin-1-yl-4-quinolyl)-1-methyl-indole-5-carbonitrile CAS Name: 3-[3-cyclohexyl-6-formyl-2-(1-piperazinyl)-4-quinolinyl]-1-methyl-5-indolecarbonitrile IUPAC Name: 3-(3-cyclohexyl-6-formyl-2-piperazin-1-ylquinolin-4-yl)-1-methylindole-5-carbonitrile Traditional Name: 3-(3-cyclohexyl-6-formyl-2-piperazino-4-quinolyl)-1-methyl-indole-5-carbonitrile Formula: C30H31N5O MolecularWeight: 477.60004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)C#N)C3=C4C=C(C=CC4=NC(=C3C5CCCCC5)N6CCNCC6)C=O

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)C#N)C3=C4C=C(C=CC4=NC(=C3C5CCCCC5)N6CCNCC6)C=O

InChI

InChI=1S/C30H31N5O/c1-34-18-25(23-15-20(17-31)8-10-27(23)34)29-24-16-21(19-36)7-9-26(24)33-30(35-13-11-32-12-14-35)28(29)22-5-3-2-4-6-22/h7-10,15-16,18-19,22,32H,2-6,11-14H2,1H3