4-[6-nitro-4-[(phenylmethyl)amino]quinazolin-7-yl]piperazine-1-carbaldehyde

Systemtic Name: 4-[6-nitro-4-[(phenylmethyl)amino]quinazolin-7-yl]piperazine-1-carbaldehyde Openeye Name: 4-[4-(benzylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde CAS Name: 4-[6-nitro-4-[(phenylmethyl)amino]-7-quinazolinyl]-1-piperazinecarboxaldehyde IUPAC Name: 4-[4-(benzylamino)-6-nitroquinazolin-7-yl]piperazine-1-carbaldehyde Traditional Name: 4-[4-(benzylamino)-6-nitro-quinazolin-7-yl]piperazine-1-carbaldehyde Formula: C20H20N6O3 MolecularWeight: 392.4112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C=O)C2=C(C=C3C(=C2)N=CN=C3NCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O3/c27-14-24-6-8-25(9-7-24)18-11-17-16(10-19(18)26(28)29)20(23-13-22-17)21-12-15-4-2-1-3-5-15/h1-5,10-11,13-14H,6-9,12H2,(H,21,22,23)