1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea

Systemtic Name: 1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Openeye Name: 1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea CAS Name: 1-[1-[(4-tert-butylphenyl)methyl]-3-pyrrolidinyl]-3-(3-methyl-5-isoquinolinyl)urea IUPAC Name: 1-[1-[(4-tert-butylphenyl)methyl]pyrrolidin-3-yl]-3-(3-methylisoquinolin-5-yl)urea Traditional Name: 1-[1-(4-tert-butylbenzyl)pyrrolidin-3-yl]-3-(3-methyl-5-isoquinolyl)urea Formula: C26H32N4O MolecularWeight: 416.55848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=NC=C2C=CC=C(C2=C1)NC(=O)NC3CCN(C3)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H32N4O/c1-18-14-23-20(15-27-18)6-5-7-24(23)29-25(31)28-22-12-13-30(17-22)16-19-8-10-21(11-9-19)26(2,3)4/h5-11,14-15,22H,12-13,16-17H2,1-4H3,(H2,28,29,31)