3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 3-[3-[bis(azanyl)methylideneamino]oxypropoxy]-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 3-(3-guanidinooxypropoxy)-5-methyl-N-propyl-N-(3-pyridylmethyl)benzamide CAS Name: 3-[3-(diaminomethylideneamino)oxypropoxy]-5-methyl-N-propyl-N-(3-pyridinylmethyl)benzamide IUPAC Name: 3-[3-(diaminomethylideneamino)oxypropoxy]-5-methyl-N-propyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 3-(3-guanidinooxypropoxy)-5-methyl-N-propyl-N-(3-pyridylmethyl)benzamide Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CN=CC=C1)C(=O)C2=CC(=CC(=C2)OCCCON=C(N)N)C

Isomeric SMILES

CCCN(CC1=CN=CC=C1)C(=O)C2=CC(=CC(=C2)OCCCON=C(N)N)C

InChI

InChI=1S/C21H29N5O3/c1-3-8-26(15-17-6-4-7-24-14-17)20(27)18-11-16(2)12-19(13-18)28-9-5-10-29-25-21(22)23/h4,6-7,11-14H,3,5,8-10,15H2,1-2H3,(H4,22,23,25)