1-(4-tert-butylphenyl)carbonyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 1-(4-tert-butylphenyl)carbonyl-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Openeye Name: 1-(4-tert-butylbenzoyl)-4-(4-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one IUPAC Name: 1-(4-tert-butylbenzoyl)-4-(pyridin-4-ylmethyl)-1,4-diazepan-5-one Traditional Name: 1-(4-tert-butylbenzoyl)-4-(4-pyridylmethyl)-1,4-diazepan-5-one Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCC(=O)N(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H27N3O2/c1-22(2,3)19-6-4-18(5-7-19)21(27)24-13-10-20(26)25(15-14-24)16-17-8-11-23-12-9-17/h4-9,11-12H,10,13-16H2,1-3H3