[4-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)-1,3-benzodioxol-5-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)-1,3-benzodioxol-5-yl]-piperazin-1-yl-methanone Openeye Name: [4-(6-nitro-7-piperazin-1-yl-quinazolin-4-yl)-1,3-benzodioxol-5-yl]-piperazin-1-yl-methanone CAS Name: [4-[6-nitro-7-(1-piperazinyl)-4-quinazolinyl]-1,3-benzodioxol-5-yl]-(1-piperazinyl)methanone IUPAC Name: [4-(6-nitro-7-piperazin-1-ylquinazolin-4-yl)-1,3-benzodioxol-5-yl]-piperazin-1-ylmethanone Traditional Name: [4-(6-nitro-7-piperazino-quinazolin-4-yl)-1,3-benzodioxol-5-yl]-piperazino-methanone Formula: C24H25N7O5 MolecularWeight: 491.4992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3C4=C(C=CC5=C4OCO5)C(=O)N6CCNCC6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N=CN=C3C4=C(C=CC5=C4OCO5)C(=O)N6CCNCC6)[N+](=O)[O-]

InChI

InChI=1S/C24H25N7O5/c32-24(30-9-5-26-6-10-30)15-1-2-20-23(36-14-35-20)21(15)22-16-11-19(31(33)34)18(12-17(16)27-13-28-22)29-7-3-25-4-8-29/h1-2,11-13,25-26H,3-10,14H2