N7-ethyl-6-nitro-N4-[(3-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine

Systemtic Name: N7-ethyl-6-nitro-N4-[(3-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Openeye Name: N7-ethyl-6-nitro-N4-[[3-(1-piperidyl)phenyl]methyl]quinazoline-4,7-diamine CAS Name: N7-ethyl-6-nitro-N4-[[3-(1-piperidinyl)phenyl]methyl]quinazoline-4,7-diamine IUPAC Name: 7-N-ethyl-6-nitro-4-N-[(3-piperidin-1-ylphenyl)methyl]quinazoline-4,7-diamine Traditional Name: ethyl-[6-nitro-4-[(3-piperidinobenzyl)amino]quinazolin-7-yl]amine Formula: C22H26N6O2 MolecularWeight: 406.48084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C2C(=C1)N=CN=C2NCC3=CC(=CC=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O2/c1-2-23-20-13-19-18(12-21(20)28(29)30)22(26-15-25-19)24-14-16-7-6-8-17(11-16)27-9-4-3-5-10-27/h6-8,11-13,15,23H,2-5,9-10,14H2,1H3,(H,24,25,26)