(6E)-6-[4-(azepan-1-yl)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[4-(azepan-1-yl)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[4-(azepan-1-yl)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[4-(1-azepanyl)-6-methyl-1H-pyrimidin-2-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[4-(azepan-1-yl)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[4-(azepan-1-yl)-6-methyl-1H-pyrimidin-2-ylidene]cyclohexa-2,4-dien-1-one Formula: C17H21N3O MolecularWeight: 283.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C2C=CC=CC2=O)N1)N3CCCCCC3

Isomeric SMILES

CC1=CC(=N/C(=C/2\C=CC=CC2=O)/N1)N3CCCCCC3

InChI

InChI=1S/C17H21N3O/c1-13-12-16(20-10-6-2-3-7-11-20)19-17(18-13)14-8-4-5-9-15(14)21/h4-5,8-9,12,18H,2-3,6-7,10-11H2,1H3/b17-14+