1-[6-[4-(2,4-dichlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enyl-urea

Systemtic Name: 1-[6-[4-(2,4-dichlorophenyl)carbonyl-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enyl-urea Openeye Name: 1-allyl-3-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea CAS Name: 1-[6-[4-[(2,4-dichlorophenyl)-oxomethyl]-1,4-diazepan-1-yl]-3-pyridinyl]-3-prop-2-enylurea IUPAC Name: 1-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl]-3-prop-2-enylurea Traditional Name: 1-allyl-3-[6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridyl]urea Formula: C21H23Cl2N5O2 MolecularWeight: 448.34562

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCNC(=O)NC1=CN=C(C=C1)N2CCCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H23Cl2N5O2/c1-2-8-24-21(30)26-16-5-7-19(25-14-16)27-9-3-10-28(12-11-27)20(29)17-6-4-15(22)13-18(17)23/h2,4-7,13-14H,1,3,8-12H2,(H2,24,26,30)