1,4-bis[5-(2,3-dimethylphenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,4-bis[5-(2,3-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,4-bis[5-(2,3-dimethylphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,4-bis[5-(2,3-dimethylphenyl)-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,4-bis[5-(2,3-dimethylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,4-bis[5-(2,3-dimethylphenyl)-2-pyridyl]-1,4-diazepane Formula: C31H34N4 MolecularWeight: 462.62846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=C(C(=CC=C5)C)C

Isomeric SMILES

CC1=CC=CC(=C1C)C2=CN=C(C=C2)N3CCCN(CC3)C4=NC=C(C=C4)C5=C(C(=CC=C5)C)C

InChI

InChI=1S/C31H34N4/c1-22-8-5-10-28(24(22)3)26-12-14-30(32-20-26)34-16-7-17-35(19-18-34)31-15-13-27(21-33-31)29-11-6-9-23(2)25(29)4/h5-6,8-15,20-21H,7,16-19H2,1-4H3