2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline

Systemtic Name: 2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Openeye Name: 2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline CAS Name: 2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline IUPAC Name: 2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Traditional Name: 2-[(3-chlorophenyl)-(1,4-diazepan-1-yl)methyl]quinoline Formula: C21H22ClN3 MolecularWeight: 351.87248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22ClN3/c22-18-7-3-6-17(15-18)21(25-13-4-11-23-12-14-25)20-10-9-16-5-1-2-8-19(16)24-20/h1-3,5-10,15,21,23H,4,11-14H2