(4-tert-butylphenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (4-tert-butylphenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (4-tert-butylphenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (4-tert-butylphenyl)-[4-[(3,4-dimethylphenyl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (4-tert-butylphenyl)-[4-(3,4-dimethylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C25H34N2O MolecularWeight: 378.55026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C25H34N2O/c1-19-7-8-21(17-20(19)2)18-26-13-6-14-27(16-15-26)24(28)22-9-11-23(12-10-22)25(3,4)5/h7-12,17H,6,13-16,18H2,1-5H3