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

Systemtic Name: 1-[[4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]methyl]urea Openeye Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]methylurea CAS Name: [4-[[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]methylurea IUPAC Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]methylurea Traditional Name: [4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]benzyl]urea Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c23-22(27)24-14-15-4-6-16(7-5-15)21(26)25-10-1-3-18(25)17-8-9-19-20(13-17)29-12-2-11-28-19/h4-9,13,18H,1-3,10-12,14H2,(H3,23,24,27)