1-[2-[3-(azepan-1-yl)propylamino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine

Systemtic Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Openeye Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine CAS Name: 1-[2-[3-(1-azepanyl)propylamino]phenyl]-2-(6-phenyl-3-pyridazinyl)guanidine IUPAC Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Traditional Name: 1-[2-[3-(azepan-1-yl)propylamino]phenyl]-2-(6-phenylpyridazin-3-yl)guanidine Formula: C26H33N7 MolecularWeight: 443.58712

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCCNC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N

Isomeric SMILES

C1CCCN(CC1)CCCNC2=CC=CC=C2NC(=NC3=NN=C(C=C3)C4=CC=CC=C4)N

InChI

InChI=1S/C26H33N7/c27-26(30-25-16-15-22(31-32-25)21-11-4-3-5-12-21)29-24-14-7-6-13-23(24)28-17-10-20-33-18-8-1-2-9-19-33/h3-7,11-16,28H,1-2,8-10,17-20H2,(H3,27,29,30,32)