N-(2,6-dimethylphenyl)-2-[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolinylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(quinolin-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(2-quinolylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)CC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C25H30N4O/c1-19-7-5-8-20(2)25(19)27-24(30)18-29-14-6-13-28(15-16-29)17-22-12-11-21-9-3-4-10-23(21)26-22/h3-5,7-12H,6,13-18H2,1-2H3,(H,27,30)