2-[3-[3-(cyclopropylmethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile

Systemtic Name: 2-[3-[3-(cyclopropylmethyl)-1-methyl-2-oxidanylidene-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzenecarbonitrile Openeye Name: 2-[3-[3-(cyclopropylmethyl)-1-methyl-2-oxo-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile CAS Name: 2-[3-[3-(cyclopropylmethyl)-1-methyl-2-oxo-3-azepanyl]phenoxy]-4-(1-imidazolylmethyl)benzonitrile IUPAC Name: 2-[3-[3-(cyclopropylmethyl)-1-methyl-2-oxoazepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Traditional Name: 2-[3-[3-(cyclopropylmethyl)-2-keto-1-methyl-azepan-3-yl]phenoxy]-4-(imidazol-1-ylmethyl)benzonitrile Formula: C28H30N4O2 MolecularWeight: 454.5634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)(CC2CC2)C3=CC(=CC=C3)OC4=C(C=CC(=C4)CN5C=CN=C5)C#N

Isomeric SMILES

CN1CCCCC(C1=O)(CC2CC2)C3=CC(=CC=C3)OC4=C(C=CC(=C4)CN5C=CN=C5)C#N

InChI

InChI=1S/C28H30N4O2/c1-31-13-3-2-11-28(27(31)33,17-21-7-8-21)24-5-4-6-25(16-24)34-26-15-22(9-10-23(26)18-29)19-32-14-12-30-20-32/h4-6,9-10,12,14-16,20-21H,2-3,7-8,11,13,17,19H2,1H3