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

Systemtic Name: 3-[2-[4-(diphenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Openeye Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxo-ethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one CAS Name: 3-[2-[4-(diphenylmethyl)-1-piperazinyl]-2-oxoethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one IUPAC Name: 3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one Traditional Name: 3-[2-(4-benzhydrylpiperazino)-2-keto-ethyl]-8-methyl-5H-pyrimid[5,4-b]indol-4-one Formula: C30H29N5O2 MolecularWeight: 491.58356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C=C1)NC3=C2N=CN(C3=O)CC(=O)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C30H29N5O2/c1-21-12-13-25-24(18-21)27-28(32-25)30(37)35(20-31-27)19-26(36)33-14-16-34(17-15-33)29(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-13,18,20,29,32H,14-17,19H2,1H3