N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(phenylcarbamoylamino)propanamide

Systemtic Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(phenylcarbamoylamino)propanamide Openeye Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(phenylcarbamoylamino)propanamide CAS Name: 3-[[anilino(oxo)methyl]amino]-N-[[6-(1-azepanyl)-3-pyridinyl]methyl]propanamide IUPAC Name: N-[[6-(azepan-1-yl)pyridin-3-yl]methyl]-3-(phenylcarbamoylamino)propanamide Traditional Name: N-[[6-(azepan-1-yl)-3-pyridyl]methyl]-3-(phenylcarbamoylamino)propionamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCNC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C2=NC=C(C=C2)CNC(=O)CCNC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C22H29N5O2/c28-21(12-13-23-22(29)26-19-8-4-3-5-9-19)25-17-18-10-11-20(24-16-18)27-14-6-1-2-7-15-27/h3-5,8-11,16H,1-2,6-7,12-15,17H2,(H,25,28)(H2,23,26,29)