6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-7-piperazin-1-yl-quinazolin-2-amine

Systemtic Name: 6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]-7-piperazin-1-yl-quinazolin-2-amine Openeye Name: N-(1-benzyl-4-piperidyl)-6-nitro-7-piperazin-1-yl-quinazolin-2-amine CAS Name: 6-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-7-(1-piperazinyl)-2-quinazolinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-nitro-7-piperazin-1-ylquinazolin-2-amine Traditional Name: (1-benzyl-4-piperidyl)-(6-nitro-7-piperazino-quinazolin-2-yl)amine Formula: C24H29N7O2 MolecularWeight: 447.53276

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])N4CCNCC4)CC5=CC=CC=C5

InChI

InChI=1S/C24H29N7O2/c32-31(33)23-14-19-16-26-24(28-21(19)15-22(23)30-12-8-25-9-13-30)27-20-6-10-29(11-7-20)17-18-4-2-1-3-5-18/h1-5,14-16,20,25H,6-13,17H2,(H,26,27,28)