N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]isoquinoline-1-carboxamide

Systemtic Name: N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]isoquinoline-1-carboxamide Openeye Name: N-(1'-isobutylspiro[chromene-2,4'-piperidine]-6-yl)isoquinoline-1-carboxamide CAS Name: N-[1'-(2-methylpropyl)-6-spiro[1-benzopyran-2,4'-piperidine]yl]-1-isoquinolinecarboxamide IUPAC Name: N-[1'-(2-methylpropyl)spiro[chromene-2,4'-piperidine]-6-yl]isoquinoline-1-carboxamide Traditional Name: N-(1'-isobutylspiro[chromene-2,4'-piperidine]-6-yl)isoquinoline-1-carboxamide Formula: C27H29N3O2 MolecularWeight: 427.53806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCC2(CC1)C=CC3=C(O2)C=CC(=C3)NC(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

CC(C)CN1CCC2(CC1)C=CC3=C(O2)C=CC(=C3)NC(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C27H29N3O2/c1-19(2)18-30-15-12-27(13-16-30)11-9-21-17-22(7-8-24(21)32-27)29-26(31)25-23-6-4-3-5-20(23)10-14-28-25/h3-11,14,17,19H,12-13,15-16,18H2,1-2H3,(H,29,31)