9-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one

Systemtic Name: 9-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Openeye Name: 9-methyl-2-[4-[3-(1-piperidyl)propoxy]phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one CAS Name: 9-methyl-2-[4-[3-(1-piperidinyl)propoxy]phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one IUPAC Name: 9-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Traditional Name: 9-methyl-2-[4-(3-piperidinopropoxy)phenyl]-4,4a,5,6-tetrahydrobenzo[h]cinnolin-3-one Formula: C27H33N3O2 MolecularWeight: 431.56982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(CCC3C2=NN(C(=O)C3)C4=CC=C(C=C4)OCCCN5CCCCC5)C=C1

Isomeric SMILES

CC1=CC2=C(CCC3C2=NN(C(=O)C3)C4=CC=C(C=C4)OCCCN5CCCCC5)C=C1

InChI

InChI=1S/C27H33N3O2/c1-20-6-7-21-8-9-22-19-26(31)30(28-27(22)25(21)18-20)23-10-12-24(13-11-23)32-17-5-16-29-14-3-2-4-15-29/h6-7,10-13,18,22H,2-5,8-9,14-17,19H2,1H3