1-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-(prop-2-enylamino)ethanone

Systemtic Name: 1-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-(prop-2-enylamino)ethanone Openeye Name: 2-(allylamino)-1-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-(6-phenyl-3-pyridazinyl)-1,4-diazepan-1-yl]-2-(prop-2-enylamino)ethanone IUPAC Name: 1-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]-2-(prop-2-enylamino)ethanone Traditional Name: 2-(allylamino)-1-[4-(6-phenylpyridazin-3-yl)-1,4-diazepan-1-yl]ethanone Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNCC(=O)N1CCCN(CC1)C2=NN=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

C=CCNCC(=O)N1CCCN(CC1)C2=NN=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H25N5O/c1-2-11-21-16-20(26)25-13-6-12-24(14-15-25)19-10-9-18(22-23-19)17-7-4-3-5-8-17/h2-5,7-10,21H,1,6,11-16H2