2-ethoxy-4-phenyl-7-[4-(phenylmethyl)piperazin-1-yl]-1,8-naphthyridine-3,6-dicarbonitrile

Systemtic Name: 2-ethoxy-4-phenyl-7-[4-(phenylmethyl)piperazin-1-yl]-1,8-naphthyridine-3,6-dicarbonitrile Openeye Name: 7-(4-benzylpiperazin-1-yl)-2-ethoxy-4-phenyl-1,8-naphthyridine-3,6-dicarbonitrile CAS Name: 2-ethoxy-4-phenyl-7-[4-(phenylmethyl)-1-piperazinyl]-1,8-naphthyridine-3,6-dicarbonitrile IUPAC Name: 7-(4-benzylpiperazin-1-yl)-2-ethoxy-4-phenyl-1,8-naphthyridine-3,6-dicarbonitrile Traditional Name: 7-(4-benzylpiperazino)-2-ethoxy-4-phenyl-1,8-naphthyridine-3,6-dicarbonitrile Formula: C29H26N6O MolecularWeight: 474.55634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC2=C(C=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)C#N)C(=C1C#N)C5=CC=CC=C5

Isomeric SMILES

CCOC1=NC2=C(C=C(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)C#N)C(=C1C#N)C5=CC=CC=C5

InChI

InChI=1S/C29H26N6O/c1-2-36-29-25(19-31)26(22-11-7-4-8-12-22)24-17-23(18-30)28(32-27(24)33-29)35-15-13-34(14-16-35)20-21-9-5-3-6-10-21/h3-12,17H,2,13-16,20H2,1H3