6-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-7-piperazin-1-yl-quinazoline

Systemtic Name: 6-nitro-4-[4-(phenylmethyl)piperazin-1-yl]-7-piperazin-1-yl-quinazoline Openeye Name: 4-(4-benzylpiperazin-1-yl)-6-nitro-7-piperazin-1-yl-quinazoline CAS Name: 6-nitro-4-[4-(phenylmethyl)-1-piperazinyl]-7-(1-piperazinyl)quinazoline IUPAC Name: 4-(4-benzylpiperazin-1-yl)-6-nitro-7-piperazin-1-ylquinazoline Traditional Name: 4-(4-benzylpiperazino)-6-nitro-7-piperazino-quinazoline Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3N4CCN(CC4)CC5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C23H27N7O2/c31-30(32)22-14-19-20(15-21(22)28-8-6-24-7-9-28)25-17-26-23(19)29-12-10-27(11-13-29)16-18-4-2-1-3-5-18/h1-5,14-15,17,24H,6-13,16H2