5,7-diethyl-3-nitro-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,6-naphthyridin-2-one

Systemtic Name: 5,7-diethyl-3-nitro-1-[[4-[2-[2-(triphenylmethyl)-1,2,3,4-tetrazol-5-yl]phenyl]phenyl]methyl]-1,6-naphthyridin-2-one Openeye Name: 5,7-diethyl-3-nitro-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one CAS Name: 5,7-diethyl-3-nitro-1-[[4-[2-[2-(triphenylmethyl)-5-tetrazolyl]phenyl]phenyl]methyl]-1,6-naphthyridin-2-one IUPAC Name: 5,7-diethyl-3-nitro-1-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,6-naphthyridin-2-one Traditional Name: 5,7-diethyl-3-nitro-1-[4-[2-(2-trityltetrazol-5-yl)phenyl]benzyl]-1,6-naphthyridin-2-one Formula: C45H37N7O3 MolecularWeight: 723.82038

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[N+](=O)[O-])CC

Isomeric SMILES

CCC1=NC(=C2C=C(C(=O)N(C2=C1)CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN(N=N5)C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[N+](=O)[O-])CC

InChI

InChI=1S/C45H37N7O3/c1-3-36-28-41-39(40(4-2)46-36)29-42(51(54)55)44(53)50(41)30-31-24-26-32(27-25-31)37-22-14-15-23-38(37)43-47-49-52(48-43)45(33-16-8-5-9-17-33,34-18-10-6-11-19-34)35-20-12-7-13-21-35/h5-29H,3-4,30H2,1-2H3