8-nitro-4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole

Systemtic Name: 8-nitro-4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Openeye Name: 8-nitro-4-[4-(4-quinolylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole CAS Name: 8-nitro-4-[4-(4-quinolinylmethyl)-1-piperazinyl]-5H-pyrimido[5,4-b]indole IUPAC Name: 8-nitro-4-[4-(quinolin-4-ylmethyl)piperazin-1-yl]-5H-pyrimido[5,4-b]indole Traditional Name: 8-nitro-4-[4-(4-quinolylmethyl)piperazino]-5H-pyrimid[5,4-b]indole Formula: C24H21N7O2 MolecularWeight: 439.46924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=NC3=CC=CC=C23)C4=NC=NC5=C4NC6=C5C=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=NC3=CC=CC=C23)C4=NC=NC5=C4NC6=C5C=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O2/c32-31(33)17-5-6-21-19(13-17)22-23(28-21)24(27-15-26-22)30-11-9-29(10-12-30)14-16-7-8-25-20-4-2-1-3-18(16)20/h1-8,13,15,28H,9-12,14H2