1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea

Systemtic Name: 1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[1-(phenylmethyl)pyrrol-2-yl]methyl]urea Openeye Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-tert-butyl-1-[(1S)-1-methylpropyl]urea CAS Name: 1-[(2S)-butan-2-yl]-3-tert-butyl-1-[[1-(phenylmethyl)-2-pyrrolyl]methyl]urea IUPAC Name: 1-[(1-benzylpyrrol-2-yl)methyl]-1-[(2S)-butan-2-yl]-3-tert-butylurea Traditional Name: 1-[(1-benzylpyrrol-2-yl)methyl]-3-tert-butyl-1-[(1S)-1-methylpropyl]urea Formula: C21H31N3O MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CC[C@H](C)N(CC1=CC=CN1CC2=CC=CC=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N3O/c1-6-17(2)24(20(25)22-21(3,4)5)16-19-13-10-14-23(19)15-18-11-8-7-9-12-18/h7-14,17H,6,15-16H2,1-5H3,(H,22,25)/t17-/m0/s1