1-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea

Systemtic Name: 1-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-yl-urea Openeye Name: 1-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea CAS Name: 1-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-propan-2-ylurea IUPAC Name: 1-[6-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]pyridin-3-yl]-3-propan-2-ylurea Traditional Name: 1-[6-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-3-pyridyl]-3-isopropyl-urea Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)NC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H28FN5O/c1-16(2)24-21(28)25-19-8-9-20(23-14-19)27-11-3-10-26(12-13-27)15-17-4-6-18(22)7-5-17/h4-9,14,16H,3,10-13,15H2,1-2H3,(H2,24,25,28)