8-methyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one

Systemtic Name: 8-methyl-3-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 8-methyl-3-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(4-benzylpiperazin-1-yl)ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(4-benzylpiperazino)ethyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C24H27N5O MolecularWeight: 401.50408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CCN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H27N5O/c1-18-7-8-21-20(15-18)22-23(26-21)24(30)29(17-25-22)14-13-27-9-11-28(12-10-27)16-19-5-3-2-4-6-19/h2-8,15,17,26H,9-14,16H2,1H3