2-[2-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]ethyl]guanidine

Systemtic Name: 2-[2-[4-(3,4,5-trimethoxyphenyl)carbonyl-1,4-diazepan-1-yl]ethyl]guanidine Openeye Name: 2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine CAS Name: 2-[2-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]ethyl]guanidine IUPAC Name: 2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine Traditional Name: 2-[2-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]ethyl]guanidine Formula: C18H29N5O4 MolecularWeight: 379.45396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)CCN=C(N)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCN(CC2)CCN=C(N)N

InChI

InChI=1S/C18H29N5O4/c1-25-14-11-13(12-15(26-2)16(14)27-3)17(24)23-7-4-6-22(9-10-23)8-5-21-18(19)20/h11-12H,4-10H2,1-3H3,(H4,19,20,21)