1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-isopropylphenyl)-(5-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-methyl-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-propan-2-ylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[(5-methyl-2-pyridyl)-p-cumenyl-methyl]-1,4-diazepane Formula: C21H29N3 MolecularWeight: 323.47506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(C)C)N3CCCNCC3

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)C(C)C)N3CCCNCC3

InChI

InChI=1S/C21H29N3/c1-16(2)18-6-8-19(9-7-18)21(20-10-5-17(3)15-23-20)24-13-4-11-22-12-14-24/h5-10,15-16,21-22H,4,11-14H2,1-3H3