1-[[4-(2-methylpropyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-[(4-isobutylphenyl)methyl]-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-[[4-(2-methylpropyl)phenyl]methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-(4-isobutylbenzyl)-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C22H29N3O MolecularWeight: 351.48516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN2CCC(=O)N(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN2CCC(=O)N(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H29N3O/c1-18(2)15-19-3-5-20(6-4-19)16-24-12-9-22(26)25(14-13-24)17-21-7-10-23-11-8-21/h3-8,10-11,18H,9,12-17H2,1-2H3