7-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-6-nitro-1H-quinazolin-4-one Formula: C20H26N6O4 MolecularWeight: 414.45824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H26N6O4/c27-19(25-5-3-1-2-4-6-25)13-23-7-9-24(10-8-23)17-12-16-15(11-18(17)26(29)30)20(28)22-14-21-16/h11-12,14H,1-10,13H2,(H,21,22,28)