1-[(3-methylpyridin-4-yl)-naphthalen-2-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(3-methylpyridin-4-yl)-naphthalen-2-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-methyl-4-pyridyl)-(2-naphthyl)methyl]-1,4-diazepane CAS Name: 1-[(3-methyl-4-pyridinyl)-(2-naphthalenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-methylpyridin-4-yl)-naphthalen-2-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-methyl-4-pyridyl)-(2-naphthyl)methyl]-1,4-diazepane Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCNCC4

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCNCC4

InChI

InChI=1S/C22H25N3/c1-17-16-24-11-9-21(17)22(25-13-4-10-23-12-14-25)20-8-7-18-5-2-3-6-19(18)15-20/h2-3,5-9,11,15-16,22-23H,4,10,12-14H2,1H3