methyl N-[3-[[6-(azepan-1-yl)pyridin-3-yl]methylcarbamoylamino]phenyl]carbamate

Systemtic Name: methyl N-[3-[[6-(azepan-1-yl)pyridin-3-yl]methylcarbamoylamino]phenyl]carbamate Openeye Name: methyl N-[3-[[6-(azepan-1-yl)-3-pyridyl]methylcarbamoylamino]phenyl]carbamate CAS Name: N-[3-[[[[6-(1-azepanyl)-3-pyridinyl]methylamino]-oxomethyl]amino]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[6-(azepan-1-yl)pyridin-3-yl]methylcarbamoylamino]phenyl]carbamate Traditional Name: N-[3-[[6-(azepan-1-yl)-3-pyridyl]methylcarbamoylamino]phenyl]carbamic acid methyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=CC(=C1)NC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC(=O)NC1=CC=CC(=C1)NC(=O)NCC2=CN=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C21H27N5O3/c1-29-21(28)25-18-8-6-7-17(13-18)24-20(27)23-15-16-9-10-19(22-14-16)26-11-4-2-3-5-12-26/h6-10,13-14H,2-5,11-12,15H2,1H3,(H,25,28)(H2,23,24,27)