7-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[methyl-(2-piperidinobenzyl)amino]-6-nitro-1H-quinazolin-4-one Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1N2CCCCC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=CC=CC=C1N2CCCCC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3/c1-24(13-15-7-3-4-8-18(15)25-9-5-2-6-10-25)19-12-17-16(11-20(19)26(28)29)21(27)23-14-22-17/h3-4,7-8,11-12,14H,2,5-6,9-10,13H2,1H3,(H,22,23,27)