1-[4-[1-[4-(azepan-1-yl)-2-methyl-phenyl]buta-1,3-dienyl]-3-methyl-phenyl]azepane

Systemtic Name: 1-[4-[1-[4-(azepan-1-yl)-2-methyl-phenyl]buta-1,3-dienyl]-3-methyl-phenyl]azepane Openeye Name: 1-[4-[1-[4-(azepan-1-yl)-2-methyl-phenyl]buta-1,3-dienyl]-3-methyl-phenyl]azepane CAS Name: 1-[4-[1-[4-(1-azepanyl)-2-methylphenyl]buta-1,3-dienyl]-3-methylphenyl]azepane IUPAC Name: 1-[4-[1-[4-(azepan-1-yl)-2-methylphenyl]buta-1,3-dienyl]-3-methylphenyl]azepane Traditional Name: 1-[4-[1-[4-(azepan-1-yl)-2-methyl-phenyl]buta-1,3-dienyl]-3-methyl-phenyl]azepane Formula: C30H40N2 MolecularWeight: 428.652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCCCCC2)C(=CC=C)C3=C(C=C(C=C3)N4CCCCCC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCCCCC2)C(=CC=C)C3=C(C=C(C=C3)N4CCCCCC4)C

InChI

InChI=1S/C30H40N2/c1-4-13-30(28-16-14-26(22-24(28)2)31-18-9-5-6-10-19-31)29-17-15-27(23-25(29)3)32-20-11-7-8-12-21-32/h4,13-17,22-23H,1,5-12,18-21H2,2-3H3