3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile

Systemtic Name: 3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile Openeye Name: 3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile CAS Name: 3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile IUPAC Name: 3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile Traditional Name: 3-[4-(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)cyclohexyl]-3H-indole-5-carbonitrile Formula: C25H27N3O MolecularWeight: 385.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCN(C2)C3CCC(CC3)C4C=NC5=C4C=C(C=C5)C#N)C=C1

Isomeric SMILES

COC1=CC2=C(CCN(C2)C3CCC(CC3)C4C=NC5=C4C=C(C=C5)C#N)C=C1

InChI

InChI=1S/C25H27N3O/c1-29-22-8-5-18-10-11-28(16-20(18)13-22)21-6-3-19(4-7-21)24-15-27-25-9-2-17(14-26)12-23(24)25/h2,5,8-9,12-13,15,19,21,24H,3-4,6-7,10-11,16H2,1H3