1-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]urea Openeye Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]urea CAS Name: [4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]urea IUPAC Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]urea Traditional Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]urea Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC(N(C1)C(=O)C2=CC=C(C=C2)NC(=O)N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O4/c22-21(26)23-16-7-4-14(5-8-16)20(25)24-10-1-3-17(24)15-6-9-18-19(13-15)28-12-2-11-27-18/h4-9,13,17H,1-3,10-12H2,(H3,22,23,26)