6-nitro-7-[[1-(phenylmethyl)piperidin-4-yl]amino]-1H-quinazolin-4-one

Systemtic Name: 6-nitro-7-[[1-(phenylmethyl)piperidin-4-yl]amino]-1H-quinazolin-4-one Openeye Name: 7-[(1-benzyl-4-piperidyl)amino]-6-nitro-1H-quinazolin-4-one CAS Name: 6-nitro-7-[[1-(phenylmethyl)-4-piperidinyl]amino]-1H-quinazolin-4-one IUPAC Name: 7-[(1-benzylpiperidin-4-yl)amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[(1-benzyl-4-piperidyl)amino]-6-nitro-1H-quinazolin-4-one Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C20H21N5O3/c26-20-16-10-19(25(27)28)18(11-17(16)21-13-22-20)23-15-6-8-24(9-7-15)12-14-4-2-1-3-5-14/h1-5,10-11,13,15,23H,6-9,12H2,(H,21,22,26)