1-tert-butyl-3-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(4-methylbenzyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C23H33N5O MolecularWeight: 395.54102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H33N5O/c1-18-6-8-19(9-7-18)17-27-12-5-13-28(15-14-27)21-11-10-20(16-24-21)25-22(29)26-23(2,3)4/h6-11,16H,5,12-15,17H2,1-4H3,(H2,25,26,29)