3-(3-carbamimidoylphenyl)-1-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-1-methyl-urea

Systemtic Name: 3-(3-carbamimidoylphenyl)-1-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-1-methyl-urea Openeye Name: 3-(3-carbamimidoylphenyl)-1-[4-[(1-ethanimidoyl-4-piperidyl)oxy]phenyl]-1-methyl-urea CAS Name: 3-(3-carbamimidoylphenyl)-1-[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]phenyl]-1-methylurea IUPAC Name: 3-(3-carbamimidoylphenyl)-1-[4-(1-ethanimidoylpiperidin-4-yl)oxyphenyl]-1-methylurea Traditional Name: 1-[4-[(1-acetimidoyl-4-piperidyl)oxy]phenyl]-3-(3-amidinophenyl)-1-methyl-urea Formula: C22H28N6O2 MolecularWeight: 408.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(C)C(=O)NC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=CC=C(C=C2)N(C)C(=O)NC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C22H28N6O2/c1-15(23)28-12-10-20(11-13-28)30-19-8-6-18(7-9-19)27(2)22(29)26-17-5-3-4-16(14-17)21(24)25/h3-9,14,20,23H,10-13H2,1-2H3,(H3,24,25)(H,26,29)