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

Systemtic Name: 1-[3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]carbonylphenyl]urea Openeye Name: [3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]urea CAS Name: [3-[[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbonyl]phenyl]urea Traditional Name: [3-[(2S)-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(=CC=C2)NC(=O)N)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)C2=CC(=CC=C2)NC(=O)N)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23N3O4/c22-21(26)23-16-5-1-4-15(12-16)20(25)24-9-2-6-17(24)14-7-8-18-19(13-14)28-11-3-10-27-18/h1,4-5,7-8,12-13,17H,2-3,6,9-11H2,(H3,22,23,26)/t17-/m0/s1