7-chloranyl-6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]quinazolin-2-amine

Systemtic Name: 7-chloranyl-6-nitro-N-[1-(phenylmethyl)piperidin-4-yl]quinazolin-2-amine Openeye Name: N-(1-benzyl-4-piperidyl)-7-chloro-6-nitro-quinazolin-2-amine CAS Name: 7-chloro-6-nitro-N-[1-(phenylmethyl)-4-piperidinyl]-2-quinazolinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-7-chloro-6-nitroquinazolin-2-amine Traditional Name: (1-benzyl-4-piperidyl)-(7-chloro-6-nitro-quinazolin-2-yl)amine Formula: C20H20ClN5O2 MolecularWeight: 397.8581

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1NC2=NC3=CC(=C(C=C3C=N2)[N+](=O)[O-])Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5O2/c21-17-11-18-15(10-19(17)26(27)28)12-22-20(24-18)23-16-6-8-25(9-7-16)13-14-4-2-1-3-5-14/h1-5,10-12,16H,6-9,13H2,(H,22,23,24)