N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(1H-pyrrol-2-ylmethyl)-1,4-diazepan-1-yl]acetamide Formula: C22H32N4O MolecularWeight: 368.51568

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=CN3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCCN(CC2)CC3=CC=CN3

InChI

InChI=1S/C22H32N4O/c1-3-18-8-5-9-19(4-2)22(18)24-21(27)17-26-13-7-12-25(14-15-26)16-20-10-6-11-23-20/h5-6,8-11,23H,3-4,7,12-17H2,1-2H3,(H,24,27)