1-[4-[6-nitro-4-[(phenylmethyl)amino]quinazolin-7-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-nitro-4-[(phenylmethyl)amino]quinazolin-7-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-(benzylamino)-6-nitro-quinazolin-7-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[6-nitro-4-[(phenylmethyl)amino]-7-quinazolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-(benzylamino)-6-nitroquinazolin-7-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-(benzylamino)-6-nitro-quinazolin-7-yl]piperazino]ethanone Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c1-15(28)25-7-9-26(10-8-25)19-12-18-17(11-20(19)27(29)30)21(24-14-23-18)22-13-16-5-3-2-4-6-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,22,23,24)