ethyl 3-[[2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoylamino]propanoate

Systemtic Name: ethyl 3-[[2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoylamino]propanoate Openeye Name: ethyl 3-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methylcarbamoylamino]propanoate CAS Name: 3-[[[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methylamino]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(4-methyl-1,4-diazepan-1-yl)pyridin-3-yl]methylcarbamoylamino]propanoate Traditional Name: 3-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridyl]methylcarbamoylamino]propionic acid ethyl ester Formula: C18H29N5O3 MolecularWeight: 363.45456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)NCC1=C(N=CC=C1)N2CCCN(CC2)C

Isomeric SMILES

CCOC(=O)CCNC(=O)NCC1=C(N=CC=C1)N2CCCN(CC2)C

InChI

InChI=1S/C18H29N5O3/c1-3-26-16(24)7-9-20-18(25)21-14-15-6-4-8-19-17(15)23-11-5-10-22(2)12-13-23/h4,6,8H,3,5,7,9-14H2,1-2H3,(H2,20,21,25)